diff --git a/AP_simulation/README.md b/AP_simulation/README.md deleted file mode 100644 index 7bb45fd..0000000 --- a/AP_simulation/README.md +++ /dev/null @@ -1,75 +0,0 @@ -# Propagation of uncertainty in drug effects -This code performs uncertainty propagation for the CiPA *in silico* model. Model inputs are the pharmacological parameters for the hERG/IKr Markov model ([README.md](../hERG_fitting/README.md)) and Hill equation parameters for drug block of other ionic currents ([README.md](../Hill_fitting/README.md)). These inputs are used to simulate action potentials (APs) with the optimized IKr-dynamic ORd model (Dutta *et al.* 2017). The primary model output considered here is the qNet metric for proarrhythmia risk described by Dutta *et al.* 2017. - -## Running the code -This code uses the following R packages: optparse (version 1.4.4), deSolve (version 1.14), ggplot2 (version 2.2.0), and rms (version 4.5-0). - -The IKr-dynamic ORd model C code is provided in [models/](models/) and must be compiled: - -``` -cd models -R CMD SHLIB newordherg_qNet.c -``` - -To run simulations, either fixed-input (optimal-fit) parameters or uncertainty-input parameters must be supplied to the model. By default, drug-hERG parameters are located [here](../hERG_fitting/results/) and Hill equation parameters are located [here](../Hill_fitting/results/). - -Results and figures are automatically saved to [results/](/results/) and [figs/](figs/), respectively. - -[This bash script](run_example.sh) provides a short example of how to run the simulations. The full process is explained below. - -### Fixed-input simulations -The control (no drug) AP simulation can be run by calling the script: - -``` -Rscript AP_simulation.R -``` - -AP simulations with drug can be run by specifying the drug name (case sensitive) and dose (interpreted as multiples of the therapeutic concentration (nM) listed in [data/CiPA_training_drugs.csv](data/CiPA_training_drugs.csv)): - -``` -Rscript AP_simulation.R -d dofetilide -x "1-10,15,20,25" -``` - -New drugs can be simulated if therapeutic (Cmax) values and input parameters are provided at the specified locations: - -``` -Rscript AP_simulation.R -d drug1 -x "1-10,15,20,25" --cmaxfile="my_cmax_table.csv" --hergpath="path/to/herg/results/" --hillpath="path/to/hill/results/" -``` - -If the therapeutic concentration is not available in the CSV file specified by "--cmaxfile", doses are interpreted as nM concentrations. - -### Uncertainty-input simulations -Samples from uncertainty-input probability distributions can be simulated by specifying sample indices: - -``` -Rscript AP_simulation.R -d dofetilide -x "1-10,15,20,25" -i "1-2000" -``` - -The appropriate parameters will be looked up in the default directories ([here](../hERG_fitting/results/) and [here](../Hill_fitting/results/)). - -Note that running many AP simulations is computationally intensive, and it is recommended to run them in parallel on a high-performance computing resource. (See [this script](run_AP_uncertainty.sh) for an example of how to split up the simulations. - -### Postprocessing -Results for all fixed-input simulations can be combined with: - -``` -Rscript combine_results.R -``` - -Results for all uncertainty-input simulations can be combined by specifying the number of samples that were run: - -``` -Rscript combine_results.R -n 2000 -``` - -The scripts [compute_qNet_CI.R](compute_qNet_CI.R) and [compute_TdP_error.R](compute_TdP_error.R) perform analysis on the combined results and generate figures. With these scripts, TdP risk categories for each drug (0, 1, or 2) are read from a CSV file specified by the "--tdpfile" option ([data/CiPA_training_drugs.csv](data/CiPA_training_drugs.csv) by default): - -``` -Rscript compute_qNet_CI.R -Rscript compute_TdP_error.R -Rscript compute_TdP_error.R --uncertainty -``` - -## References -* Dutta, S., Chang, K.C., Beattie, K.A., Sheng, J., Tran, P.N., Wu, W.W., et al. (2017). Optimization of an In silico Cardiac Cell Model for Proarrhythmia Risk Assessment. Frontiers in Physiology 8(616). doi: 10.3389/fphys.2017.00616. -* O'Hara, T., Virag, L., Varro, A., and Rudy, Y. (2011). Simulation of the undiseased human cardiac ventricular action potential: model formulation and experimental validation. PLoS Comput Biol 7(5), e1002061. doi: 10.1371/journal.pcbi.1002061. diff --git a/AP_simulation/compute_qNet_CI.R b/AP_simulation/compute_qNet_CI.R deleted file mode 100644 index a74559c..0000000 --- a/AP_simulation/compute_qNet_CI.R +++ /dev/null @@ -1,101 +0,0 @@ -# File: compute_qNet_CI.R -# Author: Kelly Chang -# Date: Oct 2017 -# Version: 1.0 -# -# Description: R script to compute credible intervals for qNet and plot -# the results for fixed-input and uncertainty-input simulations. -# For help, run this script with command line option "-h". -# - -#--- specify command line arguments -library(optparse) -parser<-OptionParser() -parser<-add_option(parser, c("-t", "--tdpfile"), default="data/CiPA_training_drugs.csv", help="Filepath to table of known TdP risk levels [default data/CiPA_training_drugs.csv]") -parser<-add_option(parser, c("-a", "--alpha"), default=0.05, help="Significance level [default 0.05]") - -args<-parse_args(parser) - -#--- load libraries -library(ggplot2) - -#--- get arguments -tdpfile<-args$tdpfile -alpha<-args$alpha - -# read results -outdir<-"results/" -infile<-paste0(outdir,"fixed/metrics.rds") -fixdf<-readRDS(infile) -infile<-paste0(outdir,"uncertainty/metrics.rds") -sampdf<-readRDS(infile) - -# compute quantiles -fixdf<-fixdf[fixdf$drug!="control",] -cidf<-data.frame() -for(drug in unique(fixdf$drug)){ - for(dose in sort(unique(fixdf$dose))){ - print(sprintf("%s: %gx Cmax",drug,dose)) - - # fixed value - thisfixdf<-fixdf[fixdf$drug==drug & fixdf$dose==dose & is.na(fixdf$sample),] - fix_val<-ifelse(is.na(thisfixdf$max_dv), NA, thisfixdf$qNet) # depolarization failure - - # sample intervals - thisdf<-sampdf[sampdf$drug==drug & sampdf$dose==dose,] - thisdf<-thisdf[order(thisdf$sample),] # order samples - if(any(thisdf$sample!=1:nrow(thisdf))) - stop("Missing samples!") - rownames(thisdf)<-NULL - - # samples with depolarization failures - isnoDepol<-is.na(thisdf$max_dv) - thisdf[isnoDepol,"qNet"]<-NA - - # compute quantiles and save to dataframe - ci_lims<-quantile(thisdf$qNet,probs=c(alpha/2,1-alpha/2),na.rm=TRUE) - out<-data.frame(drug=drug, dose=dose, value=fix_val, samples=nrow(thisdf), conf=1-alpha, lower=ci_lims[[1]], upper=ci_lims[[2]]) - cidf<-rbind(cidf,out) - } # for dose -} # for drug -print(head(cidf)) - -outfile<-(sprintf("results/qNet_CI%g.csv",(1-alpha)*100)) -write.csv(cidf, outfile, row.names=F, quote=F) - -# prepare results for plotting -conf<-1-alpha -cidf[,c("value","lower","upper")]<-cidf[,c("value","lower","upper")]/1e3 # convert units - -# get risk categories -drugtable<-read.csv(tdpfile) -cidf<-merge(cidf, drugtable[,c("drug","CiPA")], all.x=T) -cidf$CiPA<-factor(cidf$CiPA, levels=c(2,1,0)) - -# data frame of drug labels -newdf<-aggregate(dose ~ drug, data=cidf, max) -colnames(newdf)<-c("drug","max") -newdf<-merge(cidf,newdf,by.x="drug",by.y="drug",all=TRUE) -newdf<-newdf[newdf$dose==newdf$max,] -tofix<-which(is.na(newdf$value)) -for(fixi in tofix) - newdf[fixi,"value"]<-mean(as.numeric(newdf[fixi, c("lower","upper")])) - -# plot results -system(paste0("mkdir -p figs")) -figfile<-sprintf("figs/qNet_CI%g.pdf",conf*100) -pdf(figfile, width=8, height=4.5) - -p<-ggplot(cidf, aes(x=dose, y=value, group=drug)) -p<-p+scale_color_brewer(palette="Set1") -p<-p+scale_fill_brewer(palette="Set1") -p<-p+geom_line(aes(color=CiPA)) -p<-p+geom_ribbon(aes(ymin=lower, ymax=upper, fill=CiPA, group=drug), alpha=0.3) -p<-p+geom_text(data=newdf, aes(label=drug, color=CiPA), hjust=-0.2, vjust=0.5, size=3, show.legend=F) -p<-p+coord_cartesian(xlim=c(0,max(cidf$dose)*1.2)) -p<-p+xlab(~"Concentration (\u00D7"~C[max]*")") -p<-p+ylab(~"qNet ("*mu*"C/"*mu*"F)") -p<-p+theme_bw() -p<-p+theme(legend.position="none") -print(p) -dev.off() diff --git a/AP_simulation/data/CiPA_training_drugs.csv b/AP_simulation/data/CiPA_training_drugs.csv deleted file mode 100644 index 07212d6..0000000 --- a/AP_simulation/data/CiPA_training_drugs.csv +++ /dev/null @@ -1,13 +0,0 @@ -drug,therapeutic,CiPA -quinidine,3237,2 -bepridil,33,2 -dofetilide,2,2 -sotalol,14690,2 -chlorpromazine,38,1 -cisapride,2.6,1 -terfenadine,4,1 -ondansetron,139,1 -diltiazem,122,0 -mexiletine,4129,0 -ranolazine,1948.2,0 -verapamil,81,0 diff --git a/AP_simulation/run_AP_dropcurrent.sh b/AP_simulation/run_AP_dropcurrent.sh deleted file mode 100755 index 656afed..0000000 --- a/AP_simulation/run_AP_dropcurrent.sh +++ /dev/null @@ -1,23 +0,0 @@ -#!/bin/bash - -# File: run_AP_dropcurrent.sh -# Author: Kelly Chang -# Date: Oct 2017 -# Version: 1.0 -# -# Description: Bash script to run AP simulations for the 12 CiPA training -# drugs using uncertainty inputs (i.e. drug parameters from -# sampling distributions), with effects on ionic currents -# omitted one at a time. -# - -DRUGNAMES=(dofetilide bepridil sotalol quinidine cisapride terfenadine ondansetron chlorpromazine verapamil ranolazine mexiletine diltiazem) - -for DRUG in ${DRUGNAMES[@]}; do - for IDX in `seq 0 99`; do - ISTART=$((IDX*20+1)) - ISTOP=$(((IDX+1)*20)) - ISTR="$ISTART"-"$ISTOP" - Rscript AP_simulation.R -d "$DRUG" -i "$ISTR" -o > logfiles/"$DRUG"."$ISTR".drop_currents 2>&1 - done -done diff --git a/AP_simulation/run_AP_fixed.sh b/AP_simulation/run_AP_fixed.sh deleted file mode 100755 index da74975..0000000 --- a/AP_simulation/run_AP_fixed.sh +++ /dev/null @@ -1,16 +0,0 @@ -#!/bin/bash - -# File: run_AP_fixed.sh -# Author: Kelly Chang -# Date: Oct 2017 -# Version: 1.0 -# -# Description: Bash script to run AP simulations for the 12 CiPA training -# drugs using fixed inputs (i.e. optimal drug parameters). -# - -DRUGNAMES=(dofetilide bepridil sotalol quinidine cisapride terfenadine ondansetron chlorpromazine verapamil ranolazine mexiletine diltiazem control) - -for DRUG in ${DRUGNAMES[@]}; do - Rscript AP_simulation.R -d "$DRUG" > logfiles/"$DRUG" 2>&1 -done diff --git a/AP_simulation/run_AP_uncertainty.sh b/AP_simulation/run_AP_uncertainty.sh deleted file mode 100755 index de9e0d1..0000000 --- a/AP_simulation/run_AP_uncertainty.sh +++ /dev/null @@ -1,22 +0,0 @@ -#!/bin/bash - -# File: run_AP_uncertainty.sh -# Author: Kelly Chang -# Date: Oct 2017 -# Version: 1.0 -# -# Description: Bash script to run AP simulations for the 12 CiPA training -# drugs using uncertainty inputs (i.e. drug parameters from -# sampling distributions). -# - -DRUGNAMES=(dofetilide bepridil sotalol quinidine cisapride terfenadine ondansetron chlorpromazine verapamil ranolazine mexiletine diltiazem) - -for DRUG in ${DRUGNAMES[@]}; do - for IDX in `seq 0 99`; do - ISTART=$((IDX*20+1)) - ISTOP=$(((IDX+1)*20)) - ISTR="$ISTART"-"$ISTOP" - Rscript AP_simulation.R -d "$DRUG" -i "$ISTR" > logfiles/"$DRUG"."$ISTR" 2>&1 - done -done diff --git a/AP_simulation/run_combine_results.sh b/AP_simulation/run_combine_results.sh deleted file mode 100755 index 168f661..0000000 --- a/AP_simulation/run_combine_results.sh +++ /dev/null @@ -1,18 +0,0 @@ -#!/bin/bash - -# File: run_combine_results.sh -# Author: Kelly Chang -# Date: Oct 2017 -# Version: 1.0 -# -# Description: Bash script to combine AP simulation results. -# - -# combine fixed-input simulation results -Rscript combine_results.R - -# combine uncertainty-input simulation results -Rscript combine_results.R -n 2000 - -# combine uncertainty-input results with omitted current effects -Rscript combine_results.R -n 2000 -o diff --git a/AP_simulation/run_compute_TdP_error.sh b/AP_simulation/run_compute_TdP_error.sh deleted file mode 100755 index 86a59a8..0000000 --- a/AP_simulation/run_compute_TdP_error.sh +++ /dev/null @@ -1,19 +0,0 @@ -#!/bin/bash - -# File: run_compute_TdP_error.sh -# Author: Kelly Chang -# Date: Oct 2017 -# Version: 1.0 -# -# Description: Bash script to perform logistic regression on AP simulation -# results. -# - -# classification with fixed-input simulation results -Rscript compute_TdP_error.R > logfiles/compute_fixed_error 2>&1 - -# classification with uncertainty-input simulation results -Rscript compute_TdP_error.R -u > logfiles/compute_uncertainty_error 2>&1 - -# classification with uncertainty-input results with omitted current effects -Rscript compute_TdP_error.R -u -o > logfiles/compute_uncertainty_dropcurrent_error 2>&1 diff --git a/BNet/Bnet.R b/BNet/Bnet.R new file mode 100644 index 0000000..f94d757 --- /dev/null +++ b/BNet/Bnet.R @@ -0,0 +1,45 @@ +#Bnet calculation Github +hERG_par="/data/results_1s_HT_Bmax" +otherCh_path="/data/non_hERG/results" +cmaxfile<-"data/newCiPA1.csv" +DRUGNAMES=c("dofetilide","bepridil","sotalol","quinidine","cisapride","terfenadine","ondansetron","chlorpromazine","verapamil","ranolazine","mexiletine","diltiazem","disopyramide","ibutilide","vandetanib","azimilide","droperidol","domperidone","clarithromycin","risperidone","pimozide","clozapine","metoprolol","loratadine","tamoxifen","nifedipine","nitrendipine","astemizole") +Bnet2=vector() +for (drug in DRUGNAMES) { +params=block1=Ochparams=ICaLparams=INaLparams=INaparams=vector() +drugtable<-read.csv(cmaxfile) +all_herg_par<-read.csv(sprintf("%s/%s/IC50_samples.csv",hERG_par,drug)) +otherCh=read.csv(sprintf("%s/%s/IC50_samples.csv",otherCh_path,drug)) +print(sprintf("%s/%s/IC50_samples.csv",otherCh_path,drug)) +cmax<-drugtable[tolower(as.character(drugtable$drug))==drug,"therapeutic"] # should be in nanomolar +doses=c(1,2,3,4) +for (i in 1:2000) { + params[1]=all_herg_par[i,"hERG_IC50"] + params[2]=all_herg_par[i,"hERG_h"] + + ICaLparams[1]=otherCh[i,"ICaL_IC50"] + ICaLparams[2]=otherCh[i,"ICaL_h"] + + INaparams[1]=otherCh[i,"INa_IC50"] + INaparams[2]=otherCh[i,"INa_h"] + + INaLparams[1]=otherCh[i,"INaL_IC50"] + INaLparams[2]=otherCh[i,"INaL_h"] + + for(dose in doses){ + conc<-dose*cmax + block=100*(1-1/(1+(conc/params[1])^params[2])) + blockICaL=100*(1-1/(1+(conc/ICaLparams[1])^ICaLparams[2])) + blockINa=100*(1-1/(1+(conc/INaparams[1])^INaparams[2])) + blockINaL=100*(1-1/(1+(conc/INaLparams[1])^INaLparams[2])) + Bnet=block-(blockICaL+blockINaL) + block0=c(block,blockICaL,blockINa,blockINaL,Bnet,conc,dose,i,params,ICaLparams,INaparams,INaLparams) + +block1=rbind(block1,block0) + } + } + colnames(block1)=c("blockhERG","blockICaL","blockINa","blockINaL","Bnet","conc","dose","i","IhERG","hhERGparams","ICaLparams","hICaLparams","INaparams","hINaparams","INaLparams","hINaLparams") + write.csv(block1,paste0("results/",drug,"_block2.csv")) + Bnet1=c(drug,mean(block1[,5]),quantile(block1[,5], probs = c(0.025, 0.975), na.rm = FALSE, names = TRUE)) + Bnet2=rbind(Bnet2,Bnet1) +} +write.csv(Bnet2,paste0("results/","Bnet2.csv")) \ No newline at end of file diff --git a/BNet/data/non_hERG/results/astemizole/IC50_optimal.csv b/BNet/data/non_hERG/results/astemizole/IC50_optimal.csv new file mode 100644 index 0000000..4643439 --- /dev/null +++ b/BNet/data/non_hERG/results/astemizole/IC50_optimal.csv @@ -0,0 +1,2 @@ +ICaL_IC50,ICaL_h,INa_IC50,INa_h,INaL_IC50,INaL_h,hERG_IC50,hERG_h +972,1.98,1862,1.98,786.5,1.98,27.01,1.504 diff --git a/BNet/data/non_hERG/results/astemizole/IC50_samples.csv b/BNet/data/non_hERG/results/astemizole/IC50_samples.csv new file mode 100644 index 0000000..0f79b80 --- /dev/null +++ b/BNet/data/non_hERG/results/astemizole/IC50_samples.csv @@ -0,0 +1,2001 @@ +ICaL_IC50,ICaL_h,INa_IC50,INa_h,INaL_IC50,INaL_h,hERG_IC50,hERG_h +920.6,1.256,1732,1.693,762.2,1.935,20,1.649 +1117,1.289,1652,1.57,935.6,1.942,22.58,1.237 +1045,1.467,1912,1.852,897.7,1.967,32.39,1.374 +888.5,1.991,1750,1.824,819,1.948,31.21,1.776 +706.9,1.985,1552,1.922,834.3,1.985,22.07,1.521 +835.9,1.914,1670,1.65,753,1.753,21.78,1.325 +923.8,1.746,1731,1.857,786.6,1.974,26.13,1.862 +701.2,1.754,2035,1.798,770.9,1.997,23.03,1.796 +1211,1.592,1961,1.701,764.1,1.966,41.2,1.693 +1125,1.944,2073,1.597,775,1.967,34.3,1.468 +786.7,1.966,1892,1.987,754.5,1.999,41.61,1.373 +1127,1.816,1817,1.995,802.1,1.981,61.7,1.926 +1030,1.752,1850,1.977,747.2,1.991,45.28,1.749 +1190,1.822,1795,1.759,902.5,1.89,32.6,1.56 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a/Hill_fitting/results/bepridil/IC50_optimal.csv +++ b/BNet/data/non_hERG/results/chlorpromazine/IC50_optimal.csv @@ -1,2 +1,2 @@ ICaL_IC50,ICaL_h,IK1_IC50,IK1_h,IKs_IC50,IKs_h,INa_IC50,INa_h,INaL_IC50,INaL_h,Ito_IC50,Ito_h,hERG_IC50,hERG_h -2808,0.6486,NA,NA,28630,0.7061,2929,1.164,1814,1.416,8594,3.541,51.34,0.9293 +6632,1.478,4652,1.126,7266,0.8325,10340,1.356,669.7,1.779,107500,0.6709,853,1.602 diff --git a/BNet/data/non_hERG/results/chlorpromazine/IC50_samples.csv b/BNet/data/non_hERG/results/chlorpromazine/IC50_samples.csv new file mode 100644 index 0000000..906d372 --- /dev/null +++ b/BNet/data/non_hERG/results/chlorpromazine/IC50_samples.csv @@ -0,0 +1,2001 @@ +ICaL_IC50,ICaL_h,IK1_IC50,IK1_h,IKs_IC50,IKs_h,INa_IC50,INa_h,INaL_IC50,INaL_h,Ito_IC50,Ito_h,hERG_IC50,hERG_h +4984,1.31,4843,1.906,15420,0.5481,109500000,0.6395,702,1.848,23010,1.079,1002,1.662 +71820,0.6178,3682,1.708,12970,0.6491,872100,0.9086,684.3,1.695,11030,1.972,799,1.561 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a/BNet/data/results_1s_HT_Bmax/azimilide/All_IC50_optimal.csv b/BNet/data/results_1s_HT_Bmax/azimilide/All_IC50_optimal.csv new file mode 100644 index 0000000..37587ad --- /dev/null +++ b/BNet/data/results_1s_HT_Bmax/azimilide/All_IC50_optimal.csv @@ -0,0 +1,2001 @@ +hERG_IC50,hERG_h,hERG_Bmax +94.32,0.8529,89.25 +184.3,0.5767,98.22 +227.1,0.718,98.86 +128.2,0.6137,98.5 +199.6,0.6651,98.45 +153.9,0.6317,98.44 +179.9,0.6658,98.53 +146.8,0.6061,98.36 +112.5,0.5951,98.45 +101.3,0.8901,87.69 +239.7,0.6147,98.94 +86,0.8897,88.02 +122,0.7082,94.95 +130.1,0.6249,98.5 +134,0.6413,98.5 +169.9,0.6087,98.52 +118.8,0.6399,98.59 +109.3,0.8712,86.61 +161.1,0.6637,98.51 +114.6,0.5557,98.39 +150.8,0.6078,98.44 +145.5,0.837,92.23 +120.9,0.5544,96.75 +233.4,0.7831,97.59 +161,0.6638,98.51 +162.6,0.5965,98.38 +207,0.7053,98.65 +231.2,0.7288,98.74 +102.6,0.9517,87.56 +151.6,0.6695,98.58 +136.7,0.7372,94.93 +105.4,0.5784,98.48 +171.3,0.6031,98.29 +96.92,0.969,86.2 +185.7,0.7257,98.8 +223,0.6998,98.69 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+"drug","M","qL","qH" +"azimilide","156.586655","82.054","259.1075" diff --git a/BNet/data/results_1s_HT_Bmax/bepridil/All_IC50_optimal.csv b/BNet/data/results_1s_HT_Bmax/bepridil/All_IC50_optimal.csv new file mode 100644 index 0000000..a234ed0 --- /dev/null +++ b/BNet/data/results_1s_HT_Bmax/bepridil/All_IC50_optimal.csv @@ -0,0 +1,2001 @@ +hERG_IC50,hERG_h,hERG_Bmax +88.58,1.065,99 +67.76,0.9431,99 +68.37,1.135,99 +87.96,1.109,99 +68.12,0.9736,99 +75.78,1.055,99 +80.92,0.9639,99 +74.25,1.175,99 +72.93,1.217,99 +80.49,1.096,99 +83.92,1.064,99 +69.07,1.121,96.04 +75.25,1.091,99 +72.79,1.118,99 +74.38,0.9715,99 +74.37,1.109,99 +64.36,1.056,99 +66.83,1.018,99 +67.18,1.076,99 +64.43,1.071,99 +80.22,0.9876,99 +65.87,0.9239,99 +77.93,1.027,99 +77.02,1.091,99 +70.36,1.056,99 +69.95,0.9315,99 +78.14,1.051,99 +75.7,0.9906,99 +80.38,1.086,99 +69.03,0.9828,99 +71.31,0.9242,99 +73.82,1.02,99 +76.02,1.093,99 +69.49,1.115,99 +71.16,0.9728,99 +79.24,1.186,99 +76.82,1.01,99 +73.67,1.127,99 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a/BNet/data/results_1s_HT_Bmax/chlorpromazine/All_IC50_optimal.csv b/BNet/data/results_1s_HT_Bmax/chlorpromazine/All_IC50_optimal.csv new file mode 100644 index 0000000..7c1af4a --- /dev/null +++ b/BNet/data/results_1s_HT_Bmax/chlorpromazine/All_IC50_optimal.csv @@ -0,0 +1,2001 @@ +hERG_IC50,hERG_h,hERG_Bmax +613.7,0.9603,99 +658.5,1.014,99 +667.9,0.945,99 +642.9,0.9896,99 +671.8,0.9748,99 +667.1,1.074,99 +590,0.892,99 +651.5,0.9495,99 +728.7,1.043,99 +788,0.9632,99 +648.1,1.048,99 +615.5,1.033,99 +582,1.029,99 +635.2,1.046,99 +654.6,0.9794,99 +615.8,0.9697,99 +623,0.914,99 +638.3,0.8859,99 +634.2,0.9459,99 +689.2,1.019,99 +634.8,0.9917,99 +666.2,0.9577,99 +607.3,1.039,99 +644.7,0.9701,99 +642,0.9969,99 +610.2,0.9764,99 +706.2,0.8948,99 +630.1,0.9206,99 +660.2,0.964,99 +733.1,0.9342,99 +643.4,1.02,99 +704.4,0.9375,99 +618.2,0.9519,99 +614.5,0.9595,99 +670.3,0.8994,99 +598.8,1.004,99 +685.5,0.9215,99 +633.6,0.9241,99 +650.7,0.9904,99 +662,0.9617,99 +806.9,0.9312,99 +735.8,0.964,99 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b/BNet/data/results_1s_HT_Bmax/diltiazem/All_IC50_optimal.csv new file mode 100644 index 0000000..474b3c8 --- /dev/null +++ b/BNet/data/results_1s_HT_Bmax/diltiazem/All_IC50_optimal.csv @@ -0,0 +1,2001 @@ +hERG_IC50,hERG_h,hERG_Bmax +9073,0.9397,99 +9441,0.8956,99 +8566,0.8891,99 +9174,0.9129,99 +8930,0.9478,99 +9405,0.9258,99 +9342,0.9467,99 +9391,0.9044,99 +9521,0.8979,99 +9629,0.9063,99 +8621,0.97,98.06 +8813,0.8714,99 +9359,0.9783,98.23 +9354,0.9051,99 +9279,1.056,96.41 +8491,0.861,99 +8974,0.889,99 +9675,0.9595,99 +8156,1.176,93.66 +8006,0.8527,99 +8639,0.931,99 +8987,0.979,99 +9429,0.9498,99 +8543,0.8985,99 +10160,0.9293,99 +9490,0.8899,99 +8996,0.941,98.26 +8274,0.9253,99 +9259,0.9306,99 +9105,0.9444,99 +9262,0.9888,97.97 +9360,0.9138,99 +8972,0.9,99 +8332,0.8948,99 +9015,0.9421,99 +10080,0.9273,99 +9747,0.9088,99 +8391,1.003,97.21 +8483,0.8941,99 +8492,0.9353,99 +9600,0.9451,99 +9088,0.9307,99 +9458,0.975,99 +8932,0.9065,99 +9103,0.8693,99 +8646,0.9901,96.99 +8180,0.9121,99 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b/BNet/data/results_1s_HT_Bmax/diltiazem/diltiazem_Stat.csv new file mode 100644 index 0000000..d058385 --- /dev/null +++ b/BNet/data/results_1s_HT_Bmax/diltiazem/diltiazem_Stat.csv @@ -0,0 +1,2 @@ +"drug","M","qL","qH" +"diltiazem","9077.8235","8099.925","10100" diff --git a/BNet/data/results_1s_HT_Bmax/disopyramide/All_IC50_optimal.csv b/BNet/data/results_1s_HT_Bmax/disopyramide/All_IC50_optimal.csv new file mode 100644 index 0000000..d6175ad --- /dev/null +++ b/BNet/data/results_1s_HT_Bmax/disopyramide/All_IC50_optimal.csv @@ -0,0 +1,2001 @@ +hERG_IC50,hERG_h,hERG_Bmax +1664,0.712,70.7 +1458,0.8114,70.7 +1238,0.8536,70.7 +1427,1.001,70.7 +1162,1.184,70.7 +1623,0.6649,70.7 +1349,0.9127,70.7 +2934,0.505,70.7 +1295,0.9033,70.7 +1292,0.9385,70.7 +1967,0.6048,70.7 +1300,1.129,70.7 +1625,0.8506,70.7 +1283,0.9564,70.7 +2051,0.6429,70.7 +2776,0.5237,94.66 +1518,0.9151,70.7 +1461,0.815,70.7 +1070,1.072,70.7 +1286,0.9561,70.7 +965.1,0.6871,70.7 +1269,1.017,70.7 +1180,1.102,70.7 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a/BNet/data/results_1s_HT_Bmax/dofetilide/All_IC50_optimal.csv b/BNet/data/results_1s_HT_Bmax/dofetilide/All_IC50_optimal.csv new file mode 100644 index 0000000..9b3ede0 --- /dev/null +++ b/BNet/data/results_1s_HT_Bmax/dofetilide/All_IC50_optimal.csv @@ -0,0 +1,2001 @@ +hERG_IC50,hERG_h,hERG_Bmax +12.6,1.325,98.18 +12.09,1.358,96.08 +11.12,1.447,89.73 +13.99,1.42,99 +13.99,1.225,99 +12.6,1.283,95.33 +12.73,1.391,99 +13.62,1.303,99 +12.3,1.368,99 +13.11,1.279,98.02 +13.49,1.377,99 +13.93,1.316,99 +10.99,1.359,93.5 +13.08,1.337,99 +13.58,1.247,99 +13.49,1.365,99 +11.52,1.322,94.42 +13.96,1.36,99 +13.03,1.402,99 +11.37,1.359,96.26 +8.678,1.664,84.4 +7.648,1.969,78.89 +11.09,1.277,92.8 +7.045,1.98,79.95 +11.72,1.408,92.45 +14.05,1.264,98.41 +11.35,1.319,99 +11.18,1.468,90.41 +11.05,1.473,90.48 +10.31,1.398,92.41 +7.486,1.98,77.45 +10.15,1.259,91.05 +12.1,1.329,99 +12.45,1.254,99 +10.42,1.43,89.42 +14.25,1.173,99 +14.51,1.297,99 +10.18,1.452,89.74 +10.97,1.468,92.67 +12.84,1.275,99 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a/BNet/data/results_1s_HT_Bmax/domperidone/All_IC50_optimal.csv b/BNet/data/results_1s_HT_Bmax/domperidone/All_IC50_optimal.csv new file mode 100644 index 0000000..9c5bbaf --- /dev/null +++ b/BNet/data/results_1s_HT_Bmax/domperidone/All_IC50_optimal.csv @@ -0,0 +1,2001 @@ +hERG_IC50,hERG_h,hERG_Bmax +46.44,0.664,99 +48.4,0.6644,99 +48.22,0.7228,99 +49.37,0.7483,99 +44.99,0.708,99 +47.65,0.7081,99 +47.76,0.6712,99 +55.21,0.7265,99 +47.09,0.7265,99 +50.07,0.7616,99 +51.67,0.6332,99 +50.42,0.7203,99 +49.69,0.6748,99 +46.83,0.7851,99 +48.39,0.6916,99 +48.12,0.6808,99 +48.16,0.7051,99 +51.37,0.7491,99 +51.43,0.7099,99 +45.91,0.6213,99 +56.18,0.7486,99 +45.75,0.6968,99 +52.56,0.7524,99 +51.2,0.7097,99 +44.24,0.7471,99 +46.42,0.709,99 +46.11,0.7111,99 +51.81,0.6695,99 +48.81,0.6747,99 +48.08,0.677,99 +53.39,0.7386,99 +47.69,0.6926,99 +43.12,0.6481,99 +45.67,0.7407,99 +48.41,0.7125,99 +47.67,0.7778,99 +47.54,0.6728,99 +46.26,0.6558,99 +47.69,0.7333,99 +47.02,0.683,99 +44.56,0.7354,99 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+"droperidol","71.88068","26.51775","134.405" diff --git a/BNet/data/results_1s_HT_Bmax/ibutilide/All_IC50_optimal.csv b/BNet/data/results_1s_HT_Bmax/ibutilide/All_IC50_optimal.csv new file mode 100644 index 0000000..ecb91c2 --- /dev/null +++ b/BNet/data/results_1s_HT_Bmax/ibutilide/All_IC50_optimal.csv @@ -0,0 +1,2001 @@ +hERG_IC50,hERG_h,hERG_Bmax +4.719,1.151,84.68 +5.721,0.9519,89.88 +5.296,1.024,87.1 +5.526,0.9732,86.95 +6.752,0.9537,93.76 +5.353,1.262,84.8 +5.423,0.8962,89.69 +4.961,1.058,84.8 +6.922,0.7632,98.84 +6.615,1.002,97.95 +5.74,0.9598,91.58 +6.008,1.065,89.99 +5.386,1.109,87.87 +5.528,0.9603,90.52 +5.889,0.8327,92.72 +4.671,1.234,82.66 +4.952,1.073,86.47 +5.506,0.985,89.45 +7.097,0.7457,99 +6.643,1.08,92.84 +5.497,1.019,92.79 +5.32,1.097,86.64 +5.544,0.9239,90.53 +5.031,1.174,83.63 +6.157,0.7541,92.79 +7.434,0.7897,99 +5.679,1.166,88.92 +4.488,1.064,82.12 +4.778,1.105,85.05 +5.265,1.332,85.74 +6.309,0.8191,94.47 +4.99,1.103,86.16 +4.969,1.186,85.01 +5.856,0.9918,91.25 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b/BNet/data/results_1s_HT_Bmax/loratadine/All_IC50_optimal.csv new file mode 100644 index 0000000..de12415 --- /dev/null +++ b/BNet/data/results_1s_HT_Bmax/loratadine/All_IC50_optimal.csv @@ -0,0 +1,2001 @@ +hERG_IC50,hERG_h,hERG_Bmax +4202,0.8463,99 +4101,0.8816,99 +4029,0.9165,99 +4507,0.9395,99 +5863,0.9986,99 +4235,0.9442,99 +4038,0.9827,99 +4337,0.8857,99 +4063,0.858,99 +4424,0.9698,99 +5061,0.9125,98.91 +4848,0.9791,99 +3922,0.8331,98.99 +4017,0.929,99 +5940,0.9044,98.92 +9935,0.8065,99 +4864,0.8839,98.9 +4383,0.8775,98.97 +3764,1.082,99 +3368,0.9278,99 +4624,0.9489,99 +4266,0.9198,99 +4699,1.004,99 +4027,0.956,99 +4787,0.9585,99 +4700,0.8725,98.99 +4392,0.8411,98.91 +5326,0.8435,98.79 +5901,0.9281,98.97 +4792,1.007,99 +4858,1.129,99 +4558,1.023,99 +4430,0.91,99 +5525,0.9366,98.99 +4806,1.068,99 +4449,0.9676,99 +4517,1.129,99 +4265,0.8138,98.87 +4276,0.9751,99 +5261,0.9017,98.94 +4044,0.9938,99 +5351,0.985,99 +5366,1.068,99 +4693,0.985,99 +3737,0.9779,99 +4796,1.104,99 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a/BNet/data/results_1s_HT_Bmax/nitrendipine/All_IC50_optimal.csv b/BNet/data/results_1s_HT_Bmax/nitrendipine/All_IC50_optimal.csv new file mode 100644 index 0000000..e459ba6 --- /dev/null +++ b/BNet/data/results_1s_HT_Bmax/nitrendipine/All_IC50_optimal.csv @@ -0,0 +1,2001 @@ +hERG_IC50,hERG_h,hERG_Bmax +46210,0.6325,70.7 +47140,0.6495,70.7 +41290,0.8858,70.7 +42240,0.9447,70.7 +64890,0.5662,70.7 +41520,1.079,75.07 +77450,0.505,70.7 +36120,0.9137,70.7 +49040,1.082,80.3 +39240,1.411,70.7 +39870,0.9996,70.7 +36390,1.457,72.79 +42830,0.9405,70.7 +42240,0.7905,70.7 +35820,1.351,70.7 +41860,1.085,70.7 +40050,0.9104,70.7 +72220,1.109,93.93 +53200,0.9349,70.7 +45840,1.14,81.31 +52780,0.6335,70.7 +36150,1.462,70.7 +31680,1.443,70.7 +32510,1.063,70.7 +33940,1.026,70.7 +36410,1.018,78.31 +48270,0.9407,77.56 +61360,1.11,92.11 +48550,0.6574,70.7 +34660,1.409,70.7 +36430,1.429,70.7 +42880,0.9128,70.7 +42980,0.7508,70.7 +73220,0.8788,99 +37610,0.8801,70.7 +51220,0.6739,70.7 +40740,0.8727,70.7 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0000000..a6e9f78 --- /dev/null +++ b/BNet/data/results_1s_HT_Bmax/ondansetron/ondansetron_Stat.csv @@ -0,0 +1,2 @@ +"drug","M","qL","qH" +"ondansetron","886.80805","779.6875","987.1075" diff --git a/BNet/data/results_1s_HT_Bmax/pimozide/All_IC50_optimal.csv b/BNet/data/results_1s_HT_Bmax/pimozide/All_IC50_optimal.csv new file mode 100644 index 0000000..5c476dd --- /dev/null +++ b/BNet/data/results_1s_HT_Bmax/pimozide/All_IC50_optimal.csv @@ -0,0 +1,2001 @@ +hERG_IC50,hERG_h,hERG_Bmax +1.24,0.6044,84.08 +0.4495,0.7162,78.1 +1.306,0.615,86.2 +1.444,0.6197,88.93 +0.5125,0.6754,80.43 +0.9595,0.753,78.46 +1.616,0.5993,89.73 +1.483,0.7549,79.38 +0.4994,0.7575,78.61 +0.9524,0.6228,85.78 +0.7709,0.6265,82.9 +1.971,0.6238,86.96 +0.5993,0.6568,83.49 +1.538,0.6009,89.2 +0.6001,0.7221,75.88 +0.6862,0.6637,79.04 +1.002,0.7675,76.41 +0.5954,0.6543,83.86 +0.4484,0.6899,77.47 +0.6059,0.7304,76 +0.7891,0.6133,82.86 +0.8457,0.5724,91.37 +0.889,0.6133,86.1 +1.036,0.6347,88.17 +0.7397,0.6706,80.53 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+85020,0.8209,98.99 +68900,0.7115,98.97 +88920,0.9348,99 +78140,0.7664,98.75 +76920,0.755,99 diff --git a/BNet/data/results_1s_HT_Bmax/sotalol/sotalol_Stat.csv b/BNet/data/results_1s_HT_Bmax/sotalol/sotalol_Stat.csv new file mode 100644 index 0000000..bbfc738 --- /dev/null +++ b/BNet/data/results_1s_HT_Bmax/sotalol/sotalol_Stat.csv @@ -0,0 +1,2 @@ +"drug","M","qL","qH" +"sotalol","77654.6","50256.25","95422.5" diff --git a/BNet/data/results_1s_HT_Bmax/tamoxifen/All_IC50_optimal.csv b/BNet/data/results_1s_HT_Bmax/tamoxifen/All_IC50_optimal.csv new file mode 100644 index 0000000..609424e --- /dev/null +++ b/BNet/data/results_1s_HT_Bmax/tamoxifen/All_IC50_optimal.csv @@ -0,0 +1,2001 @@ +hERG_IC50,hERG_h,hERG_Bmax +602.4,1.621,99 +561.8,1.489,75.45 +558.4,1.839,81.9 +576.6,1.594,93.48 +408.3,1.489,91.23 +435.8,1.79,89.53 +445.8,1.98,75.42 +498.6,1.441,92.58 +398.6,1.98,86.91 +425.2,1.98,76.42 +459.7,1.896,88.77 +420.9,1.98,79.9 +605.3,1.277,89.5 +443.4,1.929,80.53 +398.5,1.98,87.17 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0000000..8bf0e5b --- /dev/null +++ b/BNet/data/results_1s_HT_Bmax/tamoxifen/tamoxifen_Stat.csv @@ -0,0 +1,2 @@ +"drug","M","qL","qH" +"tamoxifen","465.0755","341.6875","703.1025" diff --git a/BNet/data/results_1s_HT_Bmax/terfenadine/All_IC50_optimal.csv b/BNet/data/results_1s_HT_Bmax/terfenadine/All_IC50_optimal.csv new file mode 100644 index 0000000..94ce817 --- /dev/null +++ b/BNet/data/results_1s_HT_Bmax/terfenadine/All_IC50_optimal.csv @@ -0,0 +1,2001 @@ +hERG_IC50,hERG_h,hERG_Bmax +49.44,0.6477,99 +34.83,0.798,99 +29.69,0.8821,99 +37.05,0.7473,99 +33.02,0.702,99 +35.96,0.7565,99 +48.22,0.6603,99 +40.76,0.6601,99 +31.56,0.7434,99 +47.93,0.5934,99 +33.18,0.7039,99 +32.08,0.7381,99 +45.71,0.6789,99 +35.84,0.7455,99 +39.95,0.7807,99 +48.48,0.5449,95.83 +53.26,0.5986,99 +40.76,0.7356,99 +44.82,0.5817,99 +30.35,0.805,99 +37.25,0.6855,99 +41.99,0.7421,99 +49.87,0.6155,99 +43.84,0.6102,99 +45.59,0.6867,99 +38.66,0.6411,99 +43.96,0.7799,99 +37.65,0.7906,99 +57.49,0.6717,99 +38.83,0.7519,99 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b/BNet/data/results_1s_HT_Bmax/verapamil/All_IC50_optimal.csv new file mode 100644 index 0000000..a82e12c --- /dev/null +++ b/BNet/data/results_1s_HT_Bmax/verapamil/All_IC50_optimal.csv @@ -0,0 +1,2001 @@ +hERG_IC50,hERG_h,hERG_Bmax +385.9,1.174,99 +450.1,1.003,99 +349.9,1.174,99 +442.4,0.9836,99 +393,1.26,99 +403.7,1.09,99 +332.1,1.213,99 +299.5,0.9587,99 +466.2,1.109,99 +380.1,1.023,99 +376.3,1.198,99 +429.1,0.9639,99 +351.6,1.224,99 +419.6,1.074,99 +452.4,1.153,99 +407.9,1.008,99 +401.4,0.9954,99 +343.3,1.257,99 +387.7,1.164,99 +389.2,0.9411,99 +369.2,1.021,99 +428.5,1.265,99 +364.3,1.344,99 +402.4,1.254,99 +381.9,1.264,99 +420.9,1.115,99 +413.9,1.313,99 +377,1.324,99 +376,1.25,99 +405.9,1.195,99 +394.4,1.087,99 +432.8,1.081,99 +281,1.197,99 +442.7,1.03,99 +309.8,1.301,99 +359.8,1.444,99 +342.1,1.131,99 +395.1,1.203,99 +422.9,1.145,99 +380.9,1.202,99 +428.1,1.378,99 +390.8,1.256,99 +355.4,1.014,99 +410.5,1.036,99 +408.3,1.167,99 +347.5,0.9362,99 +428.3,1.112,99 +404.6,1.088,99 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+404.7,0.8507,99 +316.4,1.188,99 +401.2,1.105,99 +453.5,1.147,99 +347.1,1.346,99 +332.7,1.17,99 +478.6,1.097,99 +396.2,1.091,99 +431.2,1.031,99 +385.6,1.107,99 +399.5,1.092,99 +385.6,1.215,99 +319.5,1.256,99 +419.1,0.9312,99 diff --git a/BNet/data/results_1s_HT_Bmax/verapamil/verapamil_Stat.csv b/BNet/data/results_1s_HT_Bmax/verapamil/verapamil_Stat.csv new file mode 100644 index 0000000..8634244 --- /dev/null +++ b/BNet/data/results_1s_HT_Bmax/verapamil/verapamil_Stat.csv @@ -0,0 +1,2 @@ +"drug","M","qL","qH" +"verapamil","381.45105","283.6975","469.6125" diff --git a/BNet/data/txt.txt b/BNet/data/txt.txt new file mode 100644 index 0000000..8b13789 --- /dev/null +++ b/BNet/data/txt.txt @@ -0,0 +1 @@ + diff --git a/Hill_fitting/README.md b/Hill_fitting/README.md deleted file mode 100644 index add53ae..0000000 --- a/Hill_fitting/README.md +++ /dev/null @@ -1,51 +0,0 @@ -# Uncertainty characterization of dose-response curves -This code performs uncertainty characterization of dose-response curves (the Hill equation) for ionic current block using a Bayesian inference approach. - -## Data format -Patch clamp data should be stored in CSV format with the following headers: - -* **drug**: drug name -* **conc**: drug concentration in nM -* **channel**: name of ionic current tested -* **block**: amount of block (%) - -To process data used in Li *et al.* 2017 to the correct format, run: - -``` -cd data -Rscript process_patchclamp_data.R -``` - -This will create the file [data/drug_block.csv](data/drug_block.csv), containing experimental results for the 12 CiPA training drugs as well as some additional compounds (see [README.md](data/README.md) for details). - -## Running the code -This code uses the R packages optparse (version 1.4.4) and FME (version 1.3.5). - -To fit bepridil: - -``` -Rscript IC50_mcmc.R -d bepridil -``` - -The code attempts to fit an IC50 value and Hill coefficient for each drug-channel pair in the data and then obtains a joint sampling distribution of the parameters using Markov-chain Monte Carlo simulation (MCMC). For data that cannot be fitted, these values are omitted from the output. - -New data can be fitted by specifying the data file path and the drug name: - -``` -Rscript IC50_mcmc.R -d drug1 -f my_data_file.csv -``` - -By default, 2000 samples are saved from the MCMC run. A different number of samples can be saved: - -``` -Rscript IC50_mcmc.R -d drug1 -f my_data_file.csv -n 3000 -``` - -For additional help: - -``` -Rscript IC50_mcmc.R -h -``` - -## References -* Li, Z., Dutta, S., Sheng, J., Tran, P.N., Wu, W., Chang, K., et al. (2017). Improving the In Silico Assessment of Proarrhythmia Risk by Combining hERG (Human Ether-à-go-go-Related Gene) ChannelDrug Binding Kinetics and Multichannel Pharmacology. Circulation: Arrhythmia and Electrophysiology 10(2), e004628. doi: 10.1161/circep.116.004628. diff --git a/Hill_fitting/compute_mcmc_CI.R b/Hill_fitting/compute_mcmc_CI.R deleted file mode 100644 index 5899059..0000000 --- a/Hill_fitting/compute_mcmc_CI.R +++ /dev/null @@ -1,60 +0,0 @@ -# File: compute_MCMC_CI.R -# Author: Kelly Chang -# Date: Oct 2017 -# Version: 1.0 -# -# Description: R script to compute credible intervals from MCMC results. -# For help, run this script with command line option "-h". -# - -#--- specify command line arguments -library(optparse) -parser<-OptionParser() -parser<-add_option(parser, c("-d", "--drug"), default="dofetilide,cisapride,bepridil,verapamil,terfenadine,ranolazine,sotalol,mexiletine,quinidine,ondansetron,diltiazem,chlorpromazine", help="Drug name(s), comma separated [default is 12 CiPA training drugs]") -parser<-add_option(parser, c("-a", "--alpha"), default=0.05, help="Significance level (0-1)") - -args<-parse_args(parser) - -#--- process arguments -drugstr<-gsub(" ","",args$drug) -drugnames<-strsplit(drugstr, ",")[[1]] -alpha<-args$alpha - -for(drug in drugnames){ - outdir<-sprintf("results/%s/",drug) - print(outdir) - - # get optimal params and MCMC samples - odf<-read.csv(paste0(outdir,"IC50_optimal.csv")) - sampdf<-read.csv(paste0(outdir,"IC50_samples.csv")) - - # log transform - islog<-sapply(colnames(odf), function(col) grepl("IC50$",col)) - colnames(odf)[islog]<-sapply(colnames(odf)[islog], function(param) sub("IC50","log10IC50",param)) - colnames(sampdf)<-colnames(odf) - notna<-islog & !is.na(odf[1,]) - odf[,notna]<-log10(odf[,notna]) - sampdf[,notna]<-log10(sampdf[,notna]) - - cidf<-data.frame() - for(param in colnames(odf)){ - thisval<-odf[,param] - - # add results using quantile - if(is.na(thisval)) - out<-c(lower=NA, upper=NA) - else{ - out<-quantile(sampdf[,param], probs=c(0.025,0.975), na.rm=TRUE) - names(out)<-c("lower","upper") - } - out<-data.frame(param=param, value=thisval, t(out)) - cidf<-rbind(cidf,out) - } - - cidf$channel<-sapply(cidf$param, function(label) sub("_h$","",sub("_log10IC50$","",label))) - cidf$param<-mapply(function(label,channel) sub(paste0(channel,"_"),"",label), cidf$param, cidf$channel) - - write.csv(cidf, sprintf("%s/MCMC_CI%g.csv",outdir,100*(1-alpha)), row.names=F, quote=F) -} # for drug - -print(warnings()) diff --git a/Hill_fitting/data/Li2017_IC50.csv b/Hill_fitting/data/Li2017_IC50.csv deleted file mode 100644 index 9dbd0e8..0000000 --- a/Hill_fitting/data/Li2017_IC50.csv +++ /dev/null @@ -1,13 +0,0 @@ -drug,ICaL_h,ICaL_IC50,Ito_h,Ito_IC50,IK1_h,IK1_IC50,IKs_h,IKs_IC50,INaL_h,INaL_IC50,INa_h,INa_IC50,hERG_IC50,hERG_h -dofetilide,1.16,260.32,0.77,18.82,0.77,394.26,NA,NA,0.26,753160.41,0.89,380.5,4.87,0.93 -bepridil,0.648641112,2808.055446,3.54,8594.04,NA,NA,0.706125727,28628.30722,1.42,1813.91,1.163653755,2929.272579,50,0.92 -sotalol,0.86510548,7061526.92,0.66,43143455.32,1.204371947,3050260.348,1.167218474,4221855.541,NA,NA,0.51,1.14e+09,110600,0.7678 -quinidine,0.589208762,51592.34546,1.28,3487.43,0.35,39589919,1.36305201,4898.902693,1.34,9416.98,1.493724623,12329.0369,992,0.8199 -cisapride,0.43,9258075.75,0.24,219112.35,0.51,29498.04,0.29,81192862,NA,NA,NA,NA,10.1,0.73 -terfenadine,0.660062997,700.4003343,0.26,239960.82,NA,NA,0.54,399754,0.6,20056.02,1.015027823,4803.18322,23,0.6468 -ondansetron,0.752643717,22551.37898,0.99,1023377.67,NA,NA,0.65344884,569807.4225,1.03,19180.8,1.019672018,57666.4315,1320,0.9134 -chlorpromazine,0.844107446,8191.915057,0.37,17616711.07,0.687753884,9269.939647,NA,NA,0.94,4559.55,1.995393819,4535.599203,929.2,0.85 -verapamil,1.096809669,201.7832944,0.82,13429.25,0.27,348913215.6,NA,NA,1.03,7028.01,NA,NA,288,0.96 -ranolazine,NA,NA,NA,NA,NA,NA,0.52,36155020,0.94,7884.47,1.424957384,68774.53398,8270,0.8866 -mexiletine,1.030674129,38243.58316,NA,NA,NA,NA,NA,NA,1.41,8956.75,NA,NA,28880,0.9246 -diltiazem,0.714205489,112.1303862,0.17,2821526904,NA,NA,NA,NA,0.68,21868.47,0.70224184,110859.7524,13150,0.9254 diff --git a/Hill_fitting/data/README.md b/Hill_fitting/data/README.md deleted file mode 100644 index 15a10b9..0000000 --- a/Hill_fitting/data/README.md +++ /dev/null @@ -1,7 +0,0 @@ -# Patch clamp data -[mergedpatchclampdata-20160514.csv](mergedpatchclampdata-20160514.csv) contains patch clamp data from Crumb *et al.* 2016. Note that some of the data have been updated since publication of this article. - -The R script [process_patchclamp_data.R](process_patchclamp_data.R) processes the Crumb *et al.* 2016 data into correct format for simulations. This script also replaces the Crumb *et al.* 2016 hERG data with data from White Oak ([WO_hERG_block.csv](WO_hERG_block.csv)), extracted from [here](../../hERG_fitting/data/). - -## References -* Crumb, W.J., Jr., Vicente, J., Johannesen, L., and Strauss, D.G. (2016). An evaluation of 30 clinical drugs against the comprehensive in vitro proarrhythmia assay (CiPA) proposed ion channel panel. J Pharmacol Toxicol Methods 81, 251-262. doi: 10.1016/j.vascn.2016.03.009. diff --git a/Hill_fitting/data/WO_hERG_block.csv b/Hill_fitting/data/WO_hERG_block.csv deleted file mode 100644 index 33fc120..0000000 --- a/Hill_fitting/data/WO_hERG_block.csv +++ /dev/null @@ -1,268 +0,0 @@ -drug,conc,units,channel,block -dofetilide,10,nM,hERG,68.4832764780687 -dofetilide,10,nM,hERG,71.1625134940626 -dofetilide,10,nM,hERG,76.7049504782201 -dofetilide,10,nM,hERG,62.695809565599 -dofetilide,10,nM,hERG,51.967919203921 -dofetilide,1,nM,hERG,22.9570548664528 -dofetilide,1,nM,hERG,4.2081951795824 -dofetilide,1,nM,hERG,10.965396257235 -dofetilide,1,nM,hERG,18.2862503938426 -dofetilide,1,nM,hERG,17.4523411289455 -dofetilide,1,nM,hERG,0.987460416144104 -dofetilide,1,nM,hERG,22.6008910043389 -dofetilide,1,nM,hERG,10.5811945812372 -dofetilide,1,nM,hERG,9.0385696615315 -dofetilide,1,nM,hERG,15.768290947937 -dofetilide,30,nM,hERG,71.2808349644884 -dofetilide,30,nM,hERG,83.7315525219508 -dofetilide,30,nM,hERG,86.2830667711856 -dofetilide,30,nM,hERG,83.753156309814 -dofetilide,30,nM,hERG,86.7317362102702 -dofetilide,3,nM,hERG,31.4394958009168 -dofetilide,3,nM,hERG,30.678432474814 -dofetilide,3,nM,hERG,34.0732033837768 -dofetilide,3,nM,hERG,24.9917467755506 -dofetilide,3,nM,hERG,23.3898956752733 -dofetilide,3,nM,hERG,30.2572169459313 -cisapride,100,nM,hERG,82.9062900065779 -cisapride,100,nM,hERG,73.6223799148234 -cisapride,100,nM,hERG,59.6851320827259 -cisapride,10,nM,hERG,61.3448428450211 -cisapride,10,nM,hERG,61.2147743805934 -cisapride,10,nM,hERG,46.1571390646432 -cisapride,10,nM,hERG,45.8777838157343 -cisapride,10,nM,hERG,52.1988501734183 -cisapride,10,nM,hERG,63.3462139626924 -cisapride,10,nM,hERG,62.4013960126785 -cisapride,1,nM,hERG,14.5653863849095 -cisapride,1,nM,hERG,15.7707740474712 -cisapride,1,nM,hERG,18.1051373351565 -cisapride,1,nM,hERG,9.5927000092268 -cisapride,1,nM,hERG,3.0491361072526 -cisapride,1,nM,hERG,1.233820126444 -cisapride,1,nM,hERG,14.0336659025109 -cisapride,300,nM,hERG,87.3452371882523 -cisapride,300,nM,hERG,77.2749643318582 -cisapride,300,nM,hERG,87.325686083444 -cisapride,300,nM,hERG,83.5493709959945 -cisapride,300,nM,hERG,80.7140720845404 -bepridil,100,nM,hERG,58.8063075420558 -bepridil,100,nM,hERG,55.9267963953642 -bepridil,100,nM,hERG,59.6115776586667 -bepridil,100,nM,hERG,65.6038211551361 -bepridil,100,nM,hERG,70.7783397303015 -bepridil,10,nM,hERG,30.7881382255679 -bepridil,10,nM,hERG,20.6479855847827 -bepridil,10,nM,hERG,-1.37863822879101 -bepridil,10,nM,hERG,14.6567299006323 -bepridil,10,nM,hERG,8.7008471804219 -bepridil,10,nM,hERG,19.1601298670521 -bepridil,300,nM,hERG,87.4381965072257 -bepridil,300,nM,hERG,86.8986866037481 -bepridil,300,nM,hERG,84.5465637161916 -bepridil,300,nM,hERG,80.9053287059412 -bepridil,30,nM,hERG,54.7128690896985 -bepridil,30,nM,hERG,47.0302973353764 -bepridil,30,nM,hERG,47.7775897040133 -bepridil,30,nM,hERG,30.5230489207687 -bepridil,30,nM,hERG,31.2983002521629 -bepridil,30,nM,hERG,35.8565663085918 -verapamil,1000,nM,hERG,69.1515684485932 -verapamil,1000,nM,hERG,75.5454014610463 -verapamil,1000,nM,hERG,75.323944260345 -verapamil,1000,nM,hERG,93.5766667758051 -verapamil,100,nM,hERG,19.2895662921879 -verapamil,100,nM,hERG,29.5389655722115 -verapamil,100,nM,hERG,31.2721004526078 -verapamil,100,nM,hERG,32.9502215946087 -verapamil,100,nM,hERG,29.3440164366705 -verapamil,300,nM,hERG,37.6947020546191 -verapamil,300,nM,hERG,54.6927476173293 -verapamil,300,nM,hERG,47.0727557317332 -verapamil,300,nM,hERG,53.0371836252054 -verapamil,300,nM,hERG,43.8183196596065 -verapamil,30,nM,hERG,17.352128585438 -verapamil,30,nM,hERG,4.9095175926587 -verapamil,30,nM,hERG,1.1802535139315 -verapamil,30,nM,hERG,28.2649477258646 -verapamil,30,nM,hERG,10.5237391563191 -verapamil,30,nM,hERG,1.689231301939 -terfenadine,100,nM,hERG,82.9030108189839 -terfenadine,100,nM,hERG,83.4380907729768 -terfenadine,100,nM,hERG,74.9584911376092 -terfenadine,100,nM,hERG,86.1809455282992 -terfenadine,100,nM,hERG,80.0022842937378 -terfenadine,100,nM,hERG,57.4461295363094 -terfenadine,10,nM,hERG,57.3103907171124 -terfenadine,10,nM,hERG,34.377535589606 -terfenadine,10,nM,hERG,39.7751847668163 -terfenadine,10,nM,hERG,31.0906041726406 -terfenadine,10,nM,hERG,40.9056746685927 -terfenadine,10,nM,hERG,45.2823930596296 -terfenadine,10,nM,hERG,43.9590623471422 -terfenadine,10,nM,hERG,43.8774503207285 -terfenadine,30,nM,hERG,61.5218875541747 -terfenadine,30,nM,hERG,59.7168990699912 -terfenadine,30,nM,hERG,35.7091058016153 -terfenadine,30,nM,hERG,34.8496448397916 -terfenadine,30,nM,hERG,44.3476191116337 -terfenadine,30,nM,hERG,49.202814741945 -terfenadine,30,nM,hERG,58.0651342598012 -terfenadine,3,nM,hERG,20.3990483193678 -terfenadine,3,nM,hERG,24.9827188631423 -terfenadine,3,nM,hERG,28.8398902888489 -terfenadine,3,nM,hERG,25.2488657557556 -terfenadine,3,nM,hERG,21.5961524627732 -ranolazine,1e+05,nM,hERG,86.3667611909984 -ranolazine,1e+05,nM,hERG,89.9136109423191 -ranolazine,1e+05,nM,hERG,84.5364135017363 -ranolazine,1e+05,nM,hERG,89.3369398697817 -ranolazine,1e+05,nM,hERG,92.4919563365207 -ranolazine,10000,nM,hERG,57.0232629883915 -ranolazine,10000,nM,hERG,56.754962715708 -ranolazine,10000,nM,hERG,56.119550536766 -ranolazine,10000,nM,hERG,51.6803667282506 -ranolazine,10000,nM,hERG,54.6960234794095 -ranolazine,10000,nM,hERG,55.9644916117944 -ranolazine,1000,nM,hERG,16.4639464013486 -ranolazine,1000,nM,hERG,16.4871931716682 -ranolazine,1000,nM,hERG,8.9427329977494 -ranolazine,1000,nM,hERG,13.9040569717806 -ranolazine,1000,nM,hERG,9.6434580145786 -ranolazine,1000,nM,hERG,18.1472407413489 -ranolazine,1000,nM,hERG,9.3470984792675 -ranolazine,30000,nM,hERG,77.4919464998065 -ranolazine,30000,nM,hERG,77.2814954866707 -ranolazine,30000,nM,hERG,70.7613349186781 -ranolazine,30000,nM,hERG,69.6682643442051 -ranolazine,30000,nM,hERG,78.1465676147183 -sotalol,1e+05,nM,hERG,58.4730775618668 -sotalol,1e+05,nM,hERG,49.9331262245572 -sotalol,1e+05,nM,hERG,34.045668199214 -sotalol,1e+05,nM,hERG,44.8790954809878 -sotalol,10000,nM,hERG,21.9216672125368 -sotalol,10000,nM,hERG,16.56485183919 -sotalol,10000,nM,hERG,11.9850550706838 -sotalol,10000,nM,hERG,15.0724404234565 -sotalol,10000,nM,hERG,15.7196938826358 -sotalol,10000,nM,hERG,14.0874025093252 -sotalol,10000,nM,hERG,13.7573152701698 -sotalol,10000,nM,hERG,6.6523311387052 -sotalol,3e+05,nM,hERG,62.4544610550556 -sotalol,3e+05,nM,hERG,78.9527264674465 -sotalol,3e+05,nM,hERG,72.3386557121083 -sotalol,3e+05,nM,hERG,69.5400339257258 -sotalol,30000,nM,hERG,20.3312190793515 -sotalol,30000,nM,hERG,33.3084715636478 -sotalol,30000,nM,hERG,27.6850439410334 -sotalol,30000,nM,hERG,27.3961699781972 -sotalol,30000,nM,hERG,35.3904841668386 -sotalol,30000,nM,hERG,14.6377992670368 -mexiletine,1e+05,nM,hERG,80.7332378423558 -mexiletine,1e+05,nM,hERG,82.096935900532 -mexiletine,1e+05,nM,hERG,82.6303424747057 -mexiletine,1e+05,nM,hERG,73.7125889131603 -mexiletine,1e+05,nM,hERG,68.7637787740525 -mexiletine,10000,nM,hERG,29.6838715315333 -mexiletine,10000,nM,hERG,24.7308011522625 -mexiletine,10000,nM,hERG,29.1629362182858 -mexiletine,10000,nM,hERG,20.2048361712053 -mexiletine,10000,nM,hERG,31.1440493310672 -mexiletine,3e+05,nM,hERG,85.3565117301764 -mexiletine,3e+05,nM,hERG,83.4340763303701 -mexiletine,3e+05,nM,hERG,81.5569570495005 -mexiletine,3e+05,nM,hERG,84.2436436568325 -mexiletine,3e+05,nM,hERG,85.8272510267117 -mexiletine,30000,nM,hERG,51.8292734901994 -mexiletine,30000,nM,hERG,55.3519097732111 -mexiletine,30000,nM,hERG,55.8725210027997 -mexiletine,30000,nM,hERG,43.9331406535927 -mexiletine,30000,nM,hERG,53.1303648902487 -mexiletine,3000,nM,hERG,15.0518455349501 -mexiletine,3000,nM,hERG,7.0623629073195 -mexiletine,3000,nM,hERG,18.253964068554 -mexiletine,3000,nM,hERG,5.2573229303111 -mexiletine,3000,nM,hERG,7.774580629362 -mexiletine,3000,nM,hERG,9.0391209422793 -quinidine,10000,nM,hERG,86.4899144556177 -quinidine,10000,nM,hERG,89.3406130845027 -quinidine,10000,nM,hERG,93.1516204635478 -quinidine,10000,nM,hERG,86.3035702457442 -quinidine,1000,nM,hERG,50.3838163150417 -quinidine,1000,nM,hERG,54.7047551608387 -quinidine,1000,nM,hERG,43.3068982693911 -quinidine,100,nM,hERG,14.2402362469551 -quinidine,100,nM,hERG,11.7593832417001 -quinidine,100,nM,hERG,21.6761588544924 -quinidine,100,nM,hERG,13.0808051294739 -quinidine,100,nM,hERG,18.0306355391417 -quinidine,100,nM,hERG,8.0592039434867 -quinidine,300,nM,hERG,26.1601494071489 -quinidine,300,nM,hERG,19.5675950522995 -quinidine,300,nM,hERG,23.332162506428 -quinidine,300,nM,hERG,32.8574785337645 -ondansetron,300,nM,hERG,14.5443829642309 -ondansetron,300,nM,hERG,18.5450179569243 -ondansetron,300,nM,hERG,17.7852756898885 -ondansetron,300,nM,hERG,19.183926504431 -ondansetron,300,nM,hERG,17.069191298757 -ondansetron,300,nM,hERG,25.0101444893543 -ondansetron,300,nM,hERG,26.5382074867154 -ondansetron,10000,nM,hERG,89.6545568844151 -ondansetron,10000,nM,hERG,86.4706024467126 -ondansetron,10000,nM,hERG,88.6549408795835 -ondansetron,10000,nM,hERG,87.7400776860443 -ondansetron,10000,nM,hERG,86.7591755357388 -ondansetron,10000,nM,hERG,83.8584333918798 -ondansetron,1000,nM,hERG,45.3256863029166 -ondansetron,1000,nM,hERG,50.1347637818241 -ondansetron,1000,nM,hERG,36.6351410004416 -ondansetron,1000,nM,hERG,46.6580540588252 -ondansetron,1000,nM,hERG,45.6667735396565 -ondansetron,3000,nM,hERG,61.1352496429582 -ondansetron,3000,nM,hERG,65.4074493485515 -ondansetron,3000,nM,hERG,71.4307722033934 -ondansetron,3000,nM,hERG,65.2558340960536 -ondansetron,3000,nM,hERG,70.280285530942 -ondansetron,3000,nM,hERG,67.2688393841257 -diltiazem,1e+05,nM,hERG,87.1368871674651 -diltiazem,1e+05,nM,hERG,86.6681015633541 -diltiazem,1e+05,nM,hERG,86.1774942380627 -diltiazem,1e+05,nM,hERG,88.0869791708852 -diltiazem,10000,nM,hERG,43.3478631461406 -diltiazem,10000,nM,hERG,44.0730968981357 -diltiazem,10000,nM,hERG,39.7430022027987 -diltiazem,10000,nM,hERG,40.4152588766934 -diltiazem,10000,nM,hERG,44.8083307698443 -diltiazem,10000,nM,hERG,41.8856515132229 -diltiazem,30000,nM,hERG,69.5327655826057 -diltiazem,30000,nM,hERG,65.5240247846927 -diltiazem,30000,nM,hERG,70.9048714563551 -diltiazem,30000,nM,hERG,69.099046000329 -diltiazem,3000,nM,hERG,21.1121679935047 -diltiazem,3000,nM,hERG,28.4445643621984 -diltiazem,3000,nM,hERG,20.6376407093023 -diltiazem,3000,nM,hERG,20.8171373258701 -diltiazem,3000,nM,hERG,19.2281938402444 -chlorpromazine,1000,nM,hERG,45.595962928186 -chlorpromazine,1000,nM,hERG,46.9126950790677 -chlorpromazine,1000,nM,hERG,50.2149961061551 -chlorpromazine,1000,nM,hERG,44.1116576628973 -chlorpromazine,1000,nM,hERG,45.5006049012418 -chlorpromazine,1000,nM,hERG,41.897045438078 -chlorpromazine,100,nM,hERG,21.3785790152861 -chlorpromazine,100,nM,hERG,10.339791386755 -chlorpromazine,100,nM,hERG,18.2571655075659 -chlorpromazine,100,nM,hERG,14.2031157801417 -chlorpromazine,100,nM,hERG,12.6810594770088 -chlorpromazine,100,nM,hERG,16.7071718776783 -chlorpromazine,3000,nM,hERG,82.6394726880877 -chlorpromazine,3000,nM,hERG,73.0421970302543 -chlorpromazine,3000,nM,hERG,75.8397777994529 -chlorpromazine,3000,nM,hERG,77.8835420159201 -chlorpromazine,300,nM,hERG,32.4883176933101 -chlorpromazine,300,nM,hERG,36.6554200084243 -chlorpromazine,300,nM,hERG,24.3577640513933 -chlorpromazine,300,nM,hERG,22.076989074287 -chlorpromazine,300,nM,hERG,26.2031797162816 diff --git a/Hill_fitting/data/drug_block.csv b/Hill_fitting/data/drug_block.csv deleted file mode 100644 index 43f22f7..0000000 --- a/Hill_fitting/data/drug_block.csv +++ /dev/null @@ -1,2496 +0,0 @@ -drug,conc,units,channel,block,pacing -amiodarone,0.8,nM,ICaL,0,0.1 -amiodarone,0.8,nM,ICaL,1.9,0.1 -amiodarone,0.8,nM,ICaL,0.3,0.1 -amiodarone,80,nM,ICaL,17.4,0.1 -amiodarone,80,nM,ICaL,12.9,0.1 -amiodarone,80,nM,ICaL,19.1,0.1 -amiodarone,800,nM,ICaL,36.8,0.1 -amiodarone,800,nM,ICaL,52.8,0.1 -amiodarone,800,nM,ICaL,40.9,0.1 -amiodarone,8000,nM,ICaL,69.2,0.1 -amiodarone,8000,nM,ICaL,83.6,0.1 -amiodarone,8000,nM,ICaL,69.6,0.1 -amiodarone,0.8,nM,IK1,2.9,0.1 -amiodarone,0.8,nM,IK1,0,0.1 -amiodarone,0.8,nM,IK1,3.4,0.1 -amiodarone,80,nM,IK1,0,0.1 -amiodarone,80,nM,IK1,0,0.1 -amiodarone,80,nM,IK1,0,0.1 -amiodarone,800,nM,IK1,0.9,0.1 -amiodarone,800,nM,IK1,3.5,0.1 -amiodarone,800,nM,IK1,0,0.1 -amiodarone,8000,nM,IK1,1.5,0.1 -amiodarone,8000,nM,IK1,0,0.1 -amiodarone,8000,nM,IK1,0,0.1 -amiodarone,0.8,nM,IKs,4.6,0.1 -amiodarone,0.8,nM,IKs,0,0.1 -amiodarone,0.8,nM,IKs,0.5,0.1 -amiodarone,80,nM,IKs,4.3,0.1 -amiodarone,80,nM,IKs,3.9,0.1 -amiodarone,80,nM,IKs,3.5,0.1 -amiodarone,800,nM,IKs,13.3,0.1 -amiodarone,800,nM,IKs,20.9,0.1 -amiodarone,800,nM,IKs,9.6,0.1 -amiodarone,8000,nM,IKs,23.6,0.1 -amiodarone,8000,nM,IKs,39.9,0.1 -amiodarone,8000,nM,IKs,48.7,0.1 -amiodarone,0.8,nM,Ito,6.2,0.1 -amiodarone,0.8,nM,Ito,1.6,0.1 -amiodarone,0.8,nM,Ito,4.6,0.1 -amiodarone,0.8,nM,Ito,14.3,0.1 -amiodarone,80,nM,Ito,18.5,0.1 -amiodarone,80,nM,Ito,27,0.1 -amiodarone,80,nM,Ito,6.1,0.1 -amiodarone,80,nM,Ito,27.3,0.1 -amiodarone,800,nM,Ito,38.5,0.1 -amiodarone,800,nM,Ito,49.3,0.1 -amiodarone,800,nM,Ito,19.7,0.1 -amiodarone,800,nM,Ito,28.6,0.1 -amiodarone,8000,nM,Ito,74.9,0.1 -amiodarone,8000,nM,Ito,45.5,0.1 -amiodarone,8000,nM,Ito,55.9,0.1 -amiodarone,0.8,nM,INaL,2.3,0.1 -amiodarone,0.8,nM,INaL,0,0.1 -amiodarone,0.8,nM,INaL,0,0.1 -amiodarone,80,nM,INaL,21,0.1 -amiodarone,80,nM,INaL,13.5,0.1 -amiodarone,80,nM,INaL,9.2,0.1 -amiodarone,800,nM,INaL,28.4,0.1 -amiodarone,800,nM,INaL,23.8,0.1 -amiodarone,800,nM,INaL,49.7,0.1 -amiodarone,8000,nM,INaL,38.4,0.1 -amiodarone,8000,nM,INaL,36.9,0.1 -amiodarone,8000,nM,INaL,59.3,0.1 -amiodarone,8000,nM,INaL,53.3,0.1 -amiodarone,0.8,nM,INa,0,0.1 -amiodarone,0.8,nM,INa,0.2,0.1 -amiodarone,0.8,nM,INa,0.04,0.1 -amiodarone,80,nM,INa,0,0.1 -amiodarone,80,nM,INa,0.5,0.1 -amiodarone,80,nM,INa,0.3,0.1 -amiodarone,800,nM,INa,25.3,0.1 -amiodarone,800,nM,INa,17.5,0.1 -amiodarone,800,nM,INa,24.1,0.1 -amiodarone,800,nM,INa,26.9,0.1 -amiodarone,8000,nM,INa,60.3,0.1 -amiodarone,8000,nM,INa,75.3,0.1 -amiodarone,8000,nM,INa,42.3,0.1 -amitriptyline,36,nM,Ito,26.1,0.1 -amitriptyline,36,nM,Ito,50.8,0.1 -amitriptyline,36,nM,Ito,19.7,0.1 -amitriptyline,36,nM,Ito,0,0.1 -amitriptyline,36,nM,Ito,0,0.1 -amitriptyline,360,nM,Ito,47.8,0.1 -amitriptyline,360,nM,Ito,58.8,0.1 -amitriptyline,360,nM,Ito,3.6,0.1 -amitriptyline,360,nM,Ito,11.7,0.1 -amitriptyline,3600,nM,Ito,63.8,0.1 -amitriptyline,3600,nM,Ito,80.9,0.1 -amitriptyline,3600,nM,Ito,12,0.1 -amitriptyline,3600,nM,Ito,19.5,0.1 -amitriptyline,36000,nM,Ito,80,0.1 -amitriptyline,36000,nM,Ito,87.7,0.1 -amitriptyline,36000,nM,Ito,71.7,0.1 -amitriptyline,36000,nM,Ito,80,0.1 -amitriptyline,36000,nM,Ito,87.7,0.1 -amitriptyline,36000,nM,Ito,80,0.1 -amitriptyline,36,nM,INaL,0,0.1 -amitriptyline,36,nM,INaL,0,0.1 -amitriptyline,36,nM,INaL,5.8,0.1 -amitriptyline,360,nM,INaL,30.5,0.1 -amitriptyline,360,nM,INaL,20.4,0.1 -amitriptyline,360,nM,INaL,30.3,0.1 -amitriptyline,3600,nM,INaL,47.5,0.1 -amitriptyline,3600,nM,INaL,34.9,0.1 -amitriptyline,3600,nM,INaL,51.8,0.1 -amitriptyline,36000,nM,INaL,85.4,0.1 -amitriptyline,36000,nM,INaL,66,0.1 -amitriptyline,36000,nM,INaL,74.4,0.1 -amitriptyline,36,nM,ICaL,4,0.1 -amitriptyline,36,nM,ICaL,6.4,0.1 -amitriptyline,36,nM,ICaL,5.8,0.1 -amitriptyline,360,nM,ICaL,24.5,0.1 -amitriptyline,360,nM,ICaL,17.4,0.1 -amitriptyline,360,nM,ICaL,19.8,0.1 -amitriptyline,3600,nM,ICaL,76.7,0.1 -amitriptyline,3600,nM,ICaL,64.9,0.1 -amitriptyline,3600,nM,ICaL,82.2,0.1 -amitriptyline,36000,nM,ICaL,97.8,0.1 -amitriptyline,36000,nM,ICaL,93.1,0.1 -amitriptyline,36000,nM,ICaL,93.8,0.1 -amitriptyline,36,nM,IK1,0,0.1 -amitriptyline,36,nM,IK1,0,0.1 -amitriptyline,36,nM,IK1,0,0.1 -amitriptyline,360,nM,IK1,0,0.1 -amitriptyline,360,nM,IK1,2.3,0.1 -amitriptyline,360,nM,IK1,5.2,0.1 -amitriptyline,3600,nM,IK1,0,0.1 -amitriptyline,3600,nM,IK1,1.7,0.1 -amitriptyline,3600,nM,IK1,0,0.1 -amitriptyline,36000,nM,IK1,0,0.1 -amitriptyline,36000,nM,IK1,2.6,0.1 -amitriptyline,36000,nM,IK1,12.2,0.1 -amitriptyline,36,nM,IKs,10.1,0.1 -amitriptyline,36,nM,IKs,16.6,0.1 -amitriptyline,36,nM,IKs,9.7,0.1 -amitriptyline,360,nM,IKs,34.8,0.1 -amitriptyline,360,nM,IKs,27.2,0.1 -amitriptyline,360,nM,IKs,21.8,0.1 -amitriptyline,3600,nM,IKs,44.1,0.1 -amitriptyline,3600,nM,IKs,48.8,0.1 -amitriptyline,3600,nM,IKs,57.7,0.1 -amitriptyline,36000,nM,IKs,93.3,0.1 -amitriptyline,36000,nM,IKs,62.3,0.1 -amitriptyline,36000,nM,IKs,82.4,0.1 -amitriptyline,36000,nM,IKs,81.9,0.1 -amitriptyline,36,nM,INa,3.1,0.1 -amitriptyline,36,nM,INa,0,0.1 -amitriptyline,36,nM,INa,0,0.1 -amitriptyline,360,nM,INa,8,0.1 -amitriptyline,360,nM,INa,11.6,0.1 -amitriptyline,360,nM,INa,14.5,0.1 -amitriptyline,3600,nM,INa,28.3,0.1 -amitriptyline,3600,nM,INa,34.1,0.1 -amitriptyline,3600,nM,INa,37.7,0.1 -amitriptyline,36000,nM,INa,95.4,0.1 -amitriptyline,36000,nM,INa,91.4,0.1 -amitriptyline,36000,nM,INa,95.7,0.1 -azithromycin,2000,nM,ICaL,0,0.1 -azithromycin,2000,nM,ICaL,0,0.1 -azithromycin,2000,nM,ICaL,0,0.1 -azithromycin,20000,nM,ICaL,0,0.1 -azithromycin,20000,nM,ICaL,0,0.1 -azithromycin,20000,nM,ICaL,0,0.1 -azithromycin,1e+05,nM,ICaL,1.5,0.1 -azithromycin,1e+05,nM,ICaL,0,0.1 -azithromycin,1e+05,nM,ICaL,3.8,0.1 -azithromycin,1e+05,nM,ICaL,2.6,0.1 -azithromycin,1e+05,nM,ICaL,0.3,0.1 -azithromycin,3e+05,nM,ICaL,28.8,0.1 -azithromycin,3e+05,nM,ICaL,5.6,0.1 -azithromycin,3e+05,nM,ICaL,8.7,0.1 -azithromycin,3e+05,nM,ICaL,13.7,0.1 -azithromycin,2000,nM,IK1,0,0.1 -azithromycin,2000,nM,IK1,0,0.1 -azithromycin,2000,nM,IK1,0,0.1 -azithromycin,20000,nM,IK1,0,0.1 -azithromycin,20000,nM,IK1,0,0.1 -azithromycin,20000,nM,IK1,0,0.1 -azithromycin,1e+05,nM,IK1,0,0.1 -azithromycin,1e+05,nM,IK1,0,0.1 -azithromycin,1e+05,nM,IK1,0,0.1 -azithromycin,3e+05,nM,IK1,3.6,0.1 -azithromycin,3e+05,nM,IK1,5.4,0.1 -azithromycin,3e+05,nM,IK1,2.8,0.1 -azithromycin,2000,nM,IKs,0,0.1 -azithromycin,2000,nM,IKs,0,0.1 -azithromycin,2000,nM,IKs,0,0.1 -azithromycin,20000,nM,IKs,0,0.1 -azithromycin,20000,nM,IKs,0,0.1 -azithromycin,20000,nM,IKs,0,0.1 -azithromycin,1e+05,nM,IKs,11.9,0.1 -azithromycin,1e+05,nM,IKs,10.5,0.1 -azithromycin,1e+05,nM,IKs,11.7,0.1 -azithromycin,3e+05,nM,IKs,31.4,0.1 -azithromycin,3e+05,nM,IKs,19.3,0.1 -azithromycin,3e+05,nM,IKs,39.1,0.1 -azithromycin,3e+05,nM,IKs,50.7,0.1 -azithromycin,2000,nM,INa,0,0.1 -azithromycin,2000,nM,INa,0,0.1 -azithromycin,2000,nM,INa,0,0.1 -azithromycin,20000,nM,INa,0,0.1 -azithromycin,20000,nM,INa,0,0.1 -azithromycin,20000,nM,INa,4.1,0.1 -azithromycin,1e+05,nM,INa,3.4,0.1 -azithromycin,1e+05,nM,INa,0,0.1 -azithromycin,1e+05,nM,INa,2.2,0.1 -azithromycin,3e+05,nM,INa,18.9,0.1 -azithromycin,3e+05,nM,INa,6,0.1 -azithromycin,3e+05,nM,INa,17.5,0.1 -azithromycin,2000,nM,Ito,9.6,0.1 -azithromycin,2000,nM,Ito,19.2,0.1 -azithromycin,2000,nM,Ito,10.4,0.1 -azithromycin,20000,nM,Ito,47.9,0.1 -azithromycin,20000,nM,Ito,44.2,0.1 -azithromycin,20000,nM,Ito,6.1,0.1 -azithromycin,1e+05,nM,Ito,68.5,0.1 -azithromycin,1e+05,nM,Ito,55.7,0.1 -azithromycin,1e+05,nM,Ito,18.4,0.1 -azithromycin,3e+05,nM,Ito,83.6,0.1 -azithromycin,3e+05,nM,Ito,67.3,0.1 -azithromycin,3e+05,nM,Ito,53.8,0.1 -azithromycin,2000,nM,INaL,0,0.1 -azithromycin,2000,nM,INaL,2.4,0.1 -azithromycin,2000,nM,INaL,3.2,0.1 -azithromycin,20000,nM,INaL,0.9,0.1 -azithromycin,20000,nM,INaL,7.8,0.1 -azithromycin,20000,nM,INaL,3.9,0.1 -azithromycin,1e+05,nM,INaL,23.3,0.1 -azithromycin,1e+05,nM,INaL,20.9,0.1 -azithromycin,1e+05,nM,INaL,24.4,0.1 -azithromycin,3e+05,nM,INaL,64.2,0.1 -azithromycin,3e+05,nM,INaL,80.7,0.1 -azithromycin,3e+05,nM,INaL,66.6,0.1 -bepridil,30,nM,ICaL,3.7,0.1 -bepridil,30,nM,ICaL,1.6,0.1 -bepridil,30,nM,ICaL,7.4,0.1 -bepridil,180,nM,ICaL,25.8,0.1 -bepridil,180,nM,ICaL,7.7,0.1 -bepridil,180,nM,ICaL,9.9,0.1 -bepridil,900,nM,ICaL,46.7,0.1 -bepridil,900,nM,ICaL,26.1,0.1 -bepridil,900,nM,ICaL,25.9,0.1 -bepridil,3000,nM,ICaL,57,0.1 -bepridil,3000,nM,ICaL,50.2,0.1 -bepridil,3000,nM,ICaL,44.9,0.1 -bepridil,30,nM,IK1,2.9,0.1 -bepridil,30,nM,IK1,0.5,0.1 -bepridil,30,nM,IK1,0,0.1 -bepridil,180,nM,IK1,0,0.1 -bepridil,180,nM,IK1,0.2,0.1 -bepridil,180,nM,IK1,0,0.1 -bepridil,900,nM,IK1,0,0.1 -bepridil,900,nM,IK1,0,0.1 -bepridil,900,nM,IK1,0.4,0.1 -bepridil,3000,nM,IK1,0,0.1 -bepridil,3000,nM,IK1,0,0.1 -bepridil,3000,nM,IK1,1.6,0.1 -bepridil,30,nM,IKs,0,0.1 -bepridil,30,nM,IKs,0.9,0.1 -bepridil,30,nM,IKs,0,0.1 -bepridil,180,nM,IKs,0,0.1 -bepridil,180,nM,IKs,0.7,0.1 -bepridil,180,nM,IKs,0,0.1 -bepridil,900,nM,IKs,2.4,0.1 -bepridil,900,nM,IKs,17.9,0.1 -bepridil,900,nM,IKs,11.2,0.1 -bepridil,900,nM,IKs,7.3,0.1 -bepridil,3000,nM,IKs,18.8,0.1 -bepridil,3000,nM,IKs,14.6,0.1 -bepridil,3000,nM,IKs,15.2,0.1 -bepridil,30,nM,Ito,0,0.1 -bepridil,30,nM,Ito,0,0.1 -bepridil,30,nM,Ito,0,0.1 -bepridil,180,nM,Ito,0.2,0.1 -bepridil,180,nM,Ito,0,0.1 -bepridil,180,nM,Ito,0,0.1 -bepridil,900,nM,Ito,0.1,0.1 -bepridil,900,nM,Ito,0,0.1 -bepridil,900,nM,Ito,0,0.1 -bepridil,3000,nM,Ito,0,0.1 -bepridil,3000,nM,Ito,6.2,0.1 -bepridil,3000,nM,Ito,3.2,0.1 -bepridil,3000,nM,Ito,0,0.1 -bepridil,30,nM,INaL,2,0.1 -bepridil,30,nM,INaL,5.9,0.1 -bepridil,30,nM,INaL,0,0.1 -bepridil,180,nM,INaL,2.9,0.1 -bepridil,180,nM,INaL,5.5,0.1 -bepridil,180,nM,INaL,0,0.1 -bepridil,900,nM,INaL,20.7,0.1 -bepridil,900,nM,INaL,28.3,0.1 -bepridil,900,nM,INaL,32.8,0.1 -bepridil,3000,nM,INaL,61.4,0.1 -bepridil,3000,nM,INaL,61.5,0.1 -bepridil,3000,nM,INaL,78.1,0.1 -bepridil,30,nM,INa,0,0.1 -bepridil,30,nM,INa,2.2,0.1 -bepridil,30,nM,INa,1.2,0.1 -bepridil,180,nM,INa,5.4,0.1 -bepridil,180,nM,INa,7.9,0.1 -bepridil,180,nM,INa,8.1,0.1 -bepridil,180,nM,INa,13.9,0.1 -bepridil,900,nM,INa,15.2,0.1 -bepridil,900,nM,INa,9.1,0.1 -bepridil,900,nM,INa,13.1,0.1 -bepridil,900,nM,INa,32.6,0.1 -bepridil,3000,nM,INa,61.7,0.1 -bepridil,3000,nM,INa,53.7,0.1 -bepridil,3000,nM,INa,42.8,0.1 -bepridil,3000,nM,INa,48.6,0.1 -chloroquine,250,nM,Ito,3.5,0.1 -chloroquine,250,nM,Ito,0,0.1 -chloroquine,250,nM,Ito,0,0.1 -chloroquine,750,nM,Ito,4.4,0.1 -chloroquine,750,nM,Ito,0.6,0.1 -chloroquine,750,nM,Ito,0,0.1 -chloroquine,2500,nM,Ito,0,0.1 -chloroquine,2500,nM,Ito,2.8,0.1 -chloroquine,2500,nM,Ito,1,0.1 -chloroquine,25000,nM,Ito,4.9,0.1 -chloroquine,25000,nM,Ito,0,0.1 -chloroquine,25000,nM,Ito,3.9,0.1 -chloroquine,25000,nM,Ito,11.9,0.1 -chloroquine,25000,nM,Ito,0,0.1 -chloroquine,25000,nM,Ito,0.8,0.1 -chloroquine,250,nM,INaL,0,0.1 -chloroquine,250,nM,INaL,0,0.1 -chloroquine,250,nM,INaL,0,0.1 -chloroquine,750,nM,INaL,10.4,0.1 -chloroquine,750,nM,INaL,0,0.1 -chloroquine,750,nM,INaL,0,0.1 -chloroquine,2500,nM,INaL,11.3,0.1 -chloroquine,2500,nM,INaL,13.1,0.1 -chloroquine,2500,nM,INaL,4.1,0.1 -chloroquine,25000,nM,INaL,11.8,0.1 -chloroquine,25000,nM,INaL,28.2,0.1 -chloroquine,25000,nM,INaL,23.8,0.1 -chloroquine,250,nM,ICaL,4.8,0.1 -chloroquine,250,nM,ICaL,0,0.1 -chloroquine,250,nM,ICaL,0.9,0.1 -chloroquine,750,nM,ICaL,7,0.1 -chloroquine,750,nM,ICaL,0,0.1 -chloroquine,750,nM,ICaL,1.6,0.1 -chloroquine,2500,nM,ICaL,7.8,0.1 -chloroquine,2500,nM,ICaL,0,0.1 -chloroquine,2500,nM,ICaL,1,0.1 -chloroquine,25000,nM,ICaL,2.5,0.1 -chloroquine,25000,nM,ICaL,2.8,0.1 -chloroquine,25000,nM,ICaL,11.8,0.1 -chloroquine,250,nM,IK1,0,0.1 -chloroquine,250,nM,IK1,0,0.1 -chloroquine,250,nM,IK1,0,0.1 -chloroquine,750,nM,IK1,6.8,0.1 -chloroquine,750,nM,IK1,11.2,0.1 -chloroquine,750,nM,IK1,9,0.1 -chloroquine,2500,nM,IK1,20.1,0.1 -chloroquine,2500,nM,IK1,32.8,0.1 -chloroquine,2500,nM,IK1,26.7,0.1 -chloroquine,25000,nM,IK1,58.6,0.1 -chloroquine,25000,nM,IK1,73.4,0.1 -chloroquine,25000,nM,IK1,65.3,0.1 -chloroquine,250,nM,IKs,0,0.1 -chloroquine,250,nM,IKs,0.8,0.1 -chloroquine,250,nM,IKs,0,0.1 -chloroquine,750,nM,IKs,0.4,0.1 -chloroquine,750,nM,IKs,0,0.1 -chloroquine,750,nM,IKs,0,0.1 -chloroquine,2500,nM,IKs,3.3,0.1 -chloroquine,2500,nM,IKs,0.2,0.1 -chloroquine,2500,nM,IKs,1.8,0.1 -chloroquine,25000,nM,IKs,17.2,0.1 -chloroquine,25000,nM,IKs,22,0.1 -chloroquine,25000,nM,IKs,11.3,0.1 -chloroquine,250,nM,INa,0,0.1 -chloroquine,250,nM,INa,0,0.1 -chloroquine,250,nM,INa,1.1,0.1 -chloroquine,750,nM,INa,0,0.1 -chloroquine,750,nM,INa,0,0.1 -chloroquine,750,nM,INa,1.6,0.1 -chloroquine,2500,nM,INa,0,0.1 -chloroquine,2500,nM,INa,4.9,0.1 -chloroquine,2500,nM,INa,9.1,0.1 -chloroquine,25000,nM,INa,13.3,0.1 -chloroquine,25000,nM,INa,21.6,0.1 -chloroquine,25000,nM,INa,14.4,0.1 -chlorpromazine,35,nM,Ito,0,0.1 -chlorpromazine,35,nM,Ito,0,0.1 -chlorpromazine,35,nM,Ito,1.8,0.1 -chlorpromazine,350,nM,Ito,0,0.1 -chlorpromazine,350,nM,Ito,0.9,0.1 -chlorpromazine,350,nM,Ito,3.1,0.1 -chlorpromazine,1750,nM,Ito,0,0.1 -chlorpromazine,1750,nM,Ito,1.4,0.1 -chlorpromazine,1750,nM,Ito,10.9,0.1 -chlorpromazine,10500,nM,Ito,10.4,0.1 -chlorpromazine,10500,nM,Ito,5.7,0.1 -chlorpromazine,10500,nM,Ito,1.9,0.1 -chlorpromazine,35,nM,INaL,0,0.1 -chlorpromazine,35,nM,INaL,1,0.1 -chlorpromazine,35,nM,INaL,0,0.1 -chlorpromazine,350,nM,INaL,8.5,0.1 -chlorpromazine,350,nM,INaL,9.8,0.1 -chlorpromazine,350,nM,INaL,13,0.1 -chlorpromazine,1750,nM,INaL,29.1,0.1 -chlorpromazine,1750,nM,INaL,25.1,0.1 -chlorpromazine,1750,nM,INaL,28.4,0.1 -chlorpromazine,10500,nM,INaL,80.8,0.1 -chlorpromazine,10500,nM,INaL,63.8,0.1 -chlorpromazine,10500,nM,INaL,63.1,0.1 -chlorpromazine,35,nM,ICaL,5.2,0.1 -chlorpromazine,35,nM,ICaL,3.1,0.1 -chlorpromazine,35,nM,ICaL,1.8,0.1 -chlorpromazine,350,nM,ICaL,5.7,0.1 -chlorpromazine,350,nM,ICaL,5.2,0.1 -chlorpromazine,350,nM,ICaL,8.8,0.1 -chlorpromazine,1750,nM,ICaL,26,0.1 -chlorpromazine,1750,nM,ICaL,16.5,0.1 -chlorpromazine,1750,nM,ICaL,20.2,0.1 -chlorpromazine,10500,nM,ICaL,46.9,0.1 -chlorpromazine,10500,nM,ICaL,71.3,0.1 -chlorpromazine,10500,nM,ICaL,48.1,0.1 -chlorpromazine,35,nM,IK1,0,0.1 -chlorpromazine,35,nM,IK1,0,0.1 -chlorpromazine,35,nM,IK1,0,0.1 -chlorpromazine,350,nM,IK1,6.7,0.1 -chlorpromazine,350,nM,IK1,4.8,0.1 -chlorpromazine,350,nM,IK1,10.3,0.1 -chlorpromazine,1750,nM,IK1,26.8,0.1 -chlorpromazine,1750,nM,IK1,21,0.1 -chlorpromazine,1750,nM,IK1,32.8,0.1 -chlorpromazine,10500,nM,IK1,41.2,0.1 -chlorpromazine,10500,nM,IK1,48.6,0.1 -chlorpromazine,10500,nM,IK1,63.4,0.1 -chlorpromazine,35,nM,IKs,3.8,0.1 -chlorpromazine,35,nM,IKs,1.7,0.1 -chlorpromazine,35,nM,IKs,0.02,0.1 -chlorpromazine,350,nM,IKs,0.9,0.1 -chlorpromazine,350,nM,IKs,5.7,0.1 -chlorpromazine,350,nM,IKs,5.3,0.1 -chlorpromazine,1750,nM,IKs,0.8,0.1 -chlorpromazine,1750,nM,IKs,6.4,0.1 -chlorpromazine,1750,nM,IKs,6.9,0.1 -chlorpromazine,10500,nM,IKs,3.9,0.1 -chlorpromazine,10500,nM,IKs,11.5,0.1 -chlorpromazine,10500,nM,IKs,0.2,0.1 -chlorpromazine,35,nM,INa,1.1,0.1 -chlorpromazine,35,nM,INa,0.05,0.1 -chlorpromazine,35,nM,INa,0,0.1 -chlorpromazine,350,nM,INa,0,0.1 -chlorpromazine,350,nM,INa,0,0.1 -chlorpromazine,350,nM,INa,0,0.1 -chlorpromazine,1750,nM,INa,10,0.1 -chlorpromazine,1750,nM,INa,17.2,0.1 -chlorpromazine,1750,nM,INa,12,0.1 -chlorpromazine,10500,nM,INa,71.7,0.1 -chlorpromazine,10500,nM,INa,82.5,0.1 -chlorpromazine,10500,nM,INa,98.4,0.1 -cibenzoline,600,nM,Ito,0,0.1 -cibenzoline,600,nM,Ito,0,0.1 -cibenzoline,600,nM,Ito,1.3,0.1 -cibenzoline,1800,nM,Ito,0,0.1 -cibenzoline,1800,nM,Ito,0,0.1 -cibenzoline,1800,nM,Ito,2.6,0.1 -cibenzoline,6000,nM,Ito,0,0.1 -cibenzoline,6000,nM,Ito,0,0.1 -cibenzoline,6000,nM,Ito,4.1,0.1 -cibenzoline,60000,nM,Ito,0,0.1 -cibenzoline,60000,nM,Ito,0,0.1 -cibenzoline,60000,nM,Ito,5.9,0.1 -cibenzoline,60000,nM,Ito,0,0.1 -cibenzoline,60000,nM,Ito,0,0.1 -cibenzoline,60000,nM,Ito,0.6,0.1 -cibenzoline,600,nM,INaL,4.3,0.1 -cibenzoline,600,nM,INaL,0,0.1 -cibenzoline,600,nM,INaL,0,0.1 -cibenzoline,1800,nM,INaL,23.5,0.1 -cibenzoline,1800,nM,INaL,0,0.1 -cibenzoline,1800,nM,INaL,0,0.1 -cibenzoline,6000,nM,INaL,62.8,0.1 -cibenzoline,6000,nM,INaL,22.9,0.1 -cibenzoline,6000,nM,INaL,26.3,0.1 -cibenzoline,60000,nM,INaL,42.4,0.1 -cibenzoline,60000,nM,INaL,53.8,0.1 -cibenzoline,60000,nM,INaL,52.3,0.1 -cibenzoline,600,nM,ICaL,0,0.1 -cibenzoline,600,nM,ICaL,0.9,0.1 -cibenzoline,600,nM,ICaL,1.2,0.1 -cibenzoline,1800,nM,ICaL,2.8,0.1 -cibenzoline,1800,nM,ICaL,2.9,0.1 -cibenzoline,1800,nM,ICaL,4.3,0.1 -cibenzoline,6000,nM,ICaL,14.8,0.1 -cibenzoline,6000,nM,ICaL,10.6,0.1 -cibenzoline,6000,nM,ICaL,6.7,0.1 -cibenzoline,60000,nM,ICaL,28.6,0.1 -cibenzoline,60000,nM,ICaL,31.8,0.1 -cibenzoline,60000,nM,ICaL,23.8,0.1 -cibenzoline,600,nM,IK1,0,0.1 -cibenzoline,600,nM,IK1,0,0.1 -cibenzoline,600,nM,IK1,0,0.1 -cibenzoline,1800,nM,IK1,10.4,0.1 -cibenzoline,1800,nM,IK1,0,0.1 -cibenzoline,1800,nM,IK1,0,0.1 -cibenzoline,6000,nM,IK1,5.3,0.1 -cibenzoline,6000,nM,IK1,0,0.1 -cibenzoline,6000,nM,IK1,0,0.1 -cibenzoline,60000,nM,IK1,0.3,0.1 -cibenzoline,60000,nM,IK1,0,0.1 -cibenzoline,60000,nM,IK1,0,0.1 -cibenzoline,600,nM,IKs,0,0.1 -cibenzoline,600,nM,IKs,0.2,0.1 -cibenzoline,600,nM,IKs,2.3,0.1 -cibenzoline,1800,nM,IKs,5.6,0.1 -cibenzoline,1800,nM,IKs,0.9,0.1 -cibenzoline,1800,nM,IKs,4,0.1 -cibenzoline,6000,nM,IKs,10.3,0.1 -cibenzoline,6000,nM,IKs,0,0.1 -cibenzoline,6000,nM,IKs,5,0.1 -cibenzoline,60000,nM,IKs,11.5,0.1 -cibenzoline,60000,nM,IKs,0,0.1 -cibenzoline,60000,nM,IKs,0,0.1 -cibenzoline,600,nM,INa,0,0.1 -cibenzoline,600,nM,INa,0.1,0.1 -cibenzoline,600,nM,INa,0,0.1 -cibenzoline,1800,nM,INa,2.3,0.1 -cibenzoline,1800,nM,INa,5.5,0.1 -cibenzoline,1800,nM,INa,2.3,0.1 -cibenzoline,6000,nM,INa,12.8,0.1 -cibenzoline,6000,nM,INa,18.3,0.1 -cibenzoline,6000,nM,INa,21.2,0.1 -cibenzoline,60000,nM,INa,70.3,0.1 -cibenzoline,60000,nM,INa,84.9,0.1 -cibenzoline,60000,nM,INa,77.9,0.1 -cisapride,2.5,nM,Ito,5.4,0.1 -cisapride,2.5,nM,Ito,0.3,0.1 -cisapride,2.5,nM,Ito,10.3,0.1 -cisapride,7.5,nM,Ito,10.5,0.1 -cisapride,7.5,nM,Ito,8.9,0.1 -cisapride,7.5,nM,Ito,0.3,0.1 -cisapride,25,nM,Ito,9.5,0.1 -cisapride,25,nM,Ito,6.1,0.1 -cisapride,25,nM,Ito,21.1,0.1 -cisapride,125,nM,Ito,17.7,0.1 -cisapride,125,nM,Ito,14.1,0.1 -cisapride,125,nM,Ito,7.7,0.1 -cisapride,2.5,nM,INaL,0,0.1 -cisapride,2.5,nM,INaL,0,0.1 -cisapride,2.5,nM,INaL,0,0.1 -cisapride,7.5,nM,INaL,0,0.1 -cisapride,7.5,nM,INaL,0,0.1 -cisapride,7.5,nM,INaL,0,0.1 -cisapride,25,nM,INaL,0,0.1 -cisapride,25,nM,INaL,0,0.1 -cisapride,25,nM,INaL,0,0.1 -cisapride,125,nM,INaL,0,0.1 -cisapride,125,nM,INaL,0,0.1 -cisapride,125,nM,INaL,0,0.1 -cisapride,2.5,nM,ICaL,0,0.1 -cisapride,2.5,nM,ICaL,0,0.1 -cisapride,2.5,nM,ICaL,0,0.1 -cisapride,7.5,nM,ICaL,0,0.1 -cisapride,7.5,nM,ICaL,0,0.1 -cisapride,7.5,nM,ICaL,0,0.1 -cisapride,25,nM,ICaL,0,0.1 -cisapride,25,nM,ICaL,0,0.1 -cisapride,25,nM,ICaL,2.5,0.1 -cisapride,125,nM,ICaL,0,0.1 -cisapride,125,nM,ICaL,0,0.1 -cisapride,125,nM,ICaL,2.2,0.1 -cisapride,2.5,nM,IK1,0,0.1 -cisapride,2.5,nM,IK1,0,0.1 -cisapride,2.5,nM,IK1,0,0.1 -cisapride,7.5,nM,IK1,0,0.1 -cisapride,7.5,nM,IK1,0,0.1 -cisapride,7.5,nM,IK1,0,0.1 -cisapride,25,nM,IK1,0,0.1 -cisapride,25,nM,IK1,0,0.1 -cisapride,25,nM,IK1,13.7,0.1 -cisapride,125,nM,IK1,14.6,0.1 -cisapride,125,nM,IK1,0,0.1 -cisapride,125,nM,IK1,1.2,0.1 -cisapride,2.5,nM,IKs,0,0.1 -cisapride,2.5,nM,IKs,0.01,0.1 -cisapride,2.5,nM,IKs,1.2,0.1 -cisapride,7.5,nM,IKs,0,0.1 -cisapride,7.5,nM,IKs,0.01,0.1 -cisapride,7.5,nM,IKs,1.8,0.1 -cisapride,25,nM,IKs,0,0.1 -cisapride,25,nM,IKs,2.2,0.1 -cisapride,25,nM,IKs,3.4,0.1 -cisapride,125,nM,IKs,0,0.1 -cisapride,125,nM,IKs,0.4,0.1 -cisapride,125,nM,IKs,4.9,0.1 -cisapride,2.5,nM,INa,0,0.1 -cisapride,2.5,nM,INa,0.4,0.1 -cisapride,2.5,nM,INa,1.1,0.1 -cisapride,7.5,nM,INa,0,0.1 -cisapride,7.5,nM,INa,2.9,0.1 -cisapride,7.5,nM,INa,1.7,0.1 -cisapride,25,nM,INa,3.8,0.1 -cisapride,25,nM,INa,6.1,0.1 -cisapride,25,nM,INa,0,0.1 -cisapride,25,nM,INa,0,0.1 -cisapride,125,nM,INa,6.1,0.1 -cisapride,125,nM,INa,0.7,0.1 -cisapride,125,nM,INa,0,0.1 -cisapride,125,nM,INa,2.9,0.1 -diltiazem,20,nM,Ito,0.3,0.1 -diltiazem,20,nM,Ito,0,0.1 -diltiazem,20,nM,Ito,9.6,0.1 -diltiazem,150,nM,Ito,5.5,0.1 -diltiazem,150,nM,Ito,5.8,0.1 -diltiazem,150,nM,Ito,9.8,0.1 -diltiazem,500,nM,Ito,5.9,0.1 -diltiazem,500,nM,Ito,2,0.1 -diltiazem,500,nM,Ito,9.4,0.1 -diltiazem,12500,nM,Ito,9.3,0.1 -diltiazem,12500,nM,Ito,8,0.1 -diltiazem,12500,nM,Ito,15.8,0.1 -diltiazem,20,nM,INaL,0,0.1 -diltiazem,20,nM,INaL,4.4,0.1 -diltiazem,20,nM,INaL,0,0.1 -diltiazem,150,nM,INaL,0,0.1 -diltiazem,150,nM,INaL,7.8,0.1 -diltiazem,150,nM,INaL,0.8,0.1 -diltiazem,500,nM,INaL,3.4,0.1 -diltiazem,500,nM,INaL,13.2,0.1 -diltiazem,500,nM,INaL,5.3,0.1 -diltiazem,12500,nM,INaL,42.4,0.1 -diltiazem,12500,nM,INaL,41.4,0.1 -diltiazem,12500,nM,INaL,38.1,0.1 -diltiazem,20,nM,ICaL,30.9,0.1 -diltiazem,20,nM,ICaL,22.4,0.1 -diltiazem,20,nM,ICaL,22.5,0.1 -diltiazem,150,nM,ICaL,64.3,0.1 -diltiazem,150,nM,ICaL,42.9,0.1 -diltiazem,150,nM,ICaL,43.5,0.1 -diltiazem,500,nM,ICaL,89.4,0.1 -diltiazem,500,nM,ICaL,75.3,0.1 -diltiazem,500,nM,ICaL,70.3,0.1 -diltiazem,12500,nM,ICaL,97.8,0.1 -diltiazem,12500,nM,ICaL,93.1,0.1 -diltiazem,12500,nM,ICaL,100,0.1 -diltiazem,20,nM,IK1,0,0.1 -diltiazem,20,nM,IK1,7.9,0.1 -diltiazem,20,nM,IK1,1.3,0.1 -diltiazem,150,nM,IK1,0,0.1 -diltiazem,150,nM,IK1,6.8,0.1 -diltiazem,150,nM,IK1,6.3,0.1 -diltiazem,500,nM,IK1,5.6,0.1 -diltiazem,500,nM,IK1,0,0.1 -diltiazem,500,nM,IK1,9.1,0.1 -diltiazem,12500,nM,IK1,4.8,0.1 -diltiazem,12500,nM,IK1,0,0.1 -diltiazem,12500,nM,IK1,9,0.1 -diltiazem,20,nM,IKs,0,0.1 -diltiazem,20,nM,IKs,0.3,0.1 -diltiazem,20,nM,IKs,0,0.1 -diltiazem,150,nM,IKs,0,0.1 -diltiazem,150,nM,IKs,0,0.1 -diltiazem,150,nM,IKs,0,0.1 -diltiazem,500,nM,IKs,0,0.1 -diltiazem,500,nM,IKs,0,0.1 -diltiazem,500,nM,IKs,0,0.1 -diltiazem,12500,nM,IKs,0,0.1 -diltiazem,12500,nM,IKs,0,0.1 -diltiazem,12500,nM,IKs,0,0.1 -diltiazem,20,nM,INa,0,0.1 -diltiazem,20,nM,INa,0,0.1 -diltiazem,20,nM,INa,0,0.1 -diltiazem,150,nM,INa,0,0.1 -diltiazem,150,nM,INa,0,0.1 -diltiazem,150,nM,INa,0,0.1 -diltiazem,500,nM,INa,4.2,0.1 -diltiazem,500,nM,INa,0,0.1 -diltiazem,500,nM,INa,4.3,0.1 -diltiazem,12500,nM,INa,12.8,0.1 -diltiazem,12500,nM,INa,27.3,0.1 -diltiazem,12500,nM,INa,13.1,0.1 -dofetilide,1,nM,Ito,4.3,0.1 -dofetilide,1,nM,Ito,5.9,0.1 -dofetilide,1,nM,Ito,3.9,0.1 -dofetilide,2,nM,Ito,20.9,0.1 -dofetilide,2,nM,Ito,16.9,0.1 -dofetilide,2,nM,Ito,14.3,0.1 -dofetilide,3,nM,Ito,26.9,0.1 -dofetilide,3,nM,Ito,28.4,0.1 -dofetilide,3,nM,Ito,14.3,0.1 -dofetilide,6,nM,Ito,34.9,0.1 -dofetilide,6,nM,Ito,24.1,0.1 -dofetilide,6,nM,Ito,22.1,0.1 -dofetilide,1,nM,INaL,3.9,0.1 -dofetilide,1,nM,INaL,5.4,0.1 -dofetilide,1,nM,INaL,0,0.1 -dofetilide,2,nM,INaL,3.1,0.1 -dofetilide,2,nM,INaL,6.5,0.1 -dofetilide,2,nM,INaL,0,0.1 -dofetilide,3,nM,INaL,0,0.1 -dofetilide,3,nM,INaL,11.2,0.1 -dofetilide,3,nM,INaL,0,0.1 -dofetilide,6,nM,INaL,1.8,0.1 -dofetilide,6,nM,INaL,12.1,0.1 -dofetilide,6,nM,INaL,0,0.1 -dofetilide,1,nM,ICaL,0,0.1 -dofetilide,1,nM,ICaL,0.4,0.1 -dofetilide,1,nM,ICaL,0,0.1 -dofetilide,1,nM,ICaL,0,0.1 -dofetilide,2,nM,ICaL,0,0.1 -dofetilide,2,nM,ICaL,1.1,0.1 -dofetilide,2,nM,ICaL,0,0.1 -dofetilide,2,nM,ICaL,0,0.1 -dofetilide,3,nM,ICaL,2.1,0.1 -dofetilide,3,nM,ICaL,0,0.1 -dofetilide,3,nM,ICaL,0,0.1 -dofetilide,6,nM,ICaL,3.6,0.1 -dofetilide,6,nM,ICaL,0,0.1 -dofetilide,6,nM,ICaL,0,0.1 -dofetilide,1,nM,IK1,0,0.1 -dofetilide,1,nM,IK1,0.6,0.1 -dofetilide,1,nM,IK1,0,0.1 -dofetilide,2,nM,IK1,0,0.1 -dofetilide,2,nM,IK1,0,0.1 -dofetilide,2,nM,IK1,3,0.1 -dofetilide,3,nM,IK1,0,0.1 -dofetilide,3,nM,IK1,0,0.1 -dofetilide,3,nM,IK1,12.4,0.1 -dofetilide,6,nM,IK1,0,0.1 -dofetilide,6,nM,IK1,0,0.1 -dofetilide,6,nM,IK1,10.1,0.1 -dofetilide,1,nM,IKs,0,0.1 -dofetilide,1,nM,IKs,0,0.1 -dofetilide,1,nM,IKs,0,0.1 -dofetilide,2,nM,IKs,1.3,0.1 -dofetilide,2,nM,IKs,0,0.1 -dofetilide,2,nM,IKs,0,0.1 -dofetilide,3,nM,IKs,3.9,0.1 -dofetilide,3,nM,IKs,0,0.1 -dofetilide,3,nM,IKs,0,0.1 -dofetilide,6,nM,IKs,0.7,0.1 -dofetilide,6,nM,IKs,0,0.1 -dofetilide,6,nM,IKs,0,0.1 -dofetilide,1,nM,INa,0,0.1 -dofetilide,1,nM,INa,1.4,0.1 -dofetilide,1,nM,INa,0.1,0.1 -dofetilide,2,nM,INa,0.8,0.1 -dofetilide,2,nM,INa,0,0.1 -dofetilide,2,nM,INa,2.7,0.1 -dofetilide,3,nM,INa,0.6,0.1 -dofetilide,3,nM,INa,0,0.1 -dofetilide,3,nM,INa,2.5,0.1 -dofetilide,6,nM,INa,0.8,0.1 -dofetilide,6,nM,INa,1.5,0.1 -dofetilide,6,nM,INa,5.1,0.1 -flecainide,200,nM,ICaL,3.9,0.1 -flecainide,200,nM,ICaL,1.5,0.1 -flecainide,200,nM,ICaL,0,0.1 -flecainide,1000,nM,ICaL,0.1,0.1 -flecainide,1000,nM,ICaL,2.5,0.1 -flecainide,1000,nM,ICaL,0.6,0.1 -flecainide,4000,nM,ICaL,4.7,0.1 -flecainide,4000,nM,ICaL,9.6,0.1 -flecainide,4000,nM,ICaL,6.9,0.1 -flecainide,20000,nM,ICaL,30.3,0.1 -flecainide,20000,nM,ICaL,56.5,0.1 -flecainide,20000,nM,ICaL,37.9,0.1 -flecainide,200,nM,IK1,1.6,0.1 -flecainide,200,nM,IK1,0,0.1 -flecainide,200,nM,IK1,0,0.1 -flecainide,1000,nM,IK1,0,0.1 -flecainide,1000,nM,IK1,0.6,0.1 -flecainide,1000,nM,IK1,0,0.1 -flecainide,4000,nM,IK1,0,0.1 -flecainide,4000,nM,IK1,0,0.1 -flecainide,4000,nM,IK1,0,0.1 -flecainide,20000,nM,IK1,0,0.1 -flecainide,20000,nM,IK1,0,0.1 -flecainide,20000,nM,IK1,1,0.1 -flecainide,200,nM,IKs,0,0.1 -flecainide,200,nM,IKs,0,0.1 -flecainide,200,nM,IKs,0,0.1 -flecainide,1000,nM,IKs,0,0.1 -flecainide,1000,nM,IKs,1.1,0.1 -flecainide,1000,nM,IKs,0,0.1 -flecainide,4000,nM,IKs,0,0.1 -flecainide,4000,nM,IKs,0,0.1 -flecainide,4000,nM,IKs,0,0.1 -flecainide,20000,nM,IKs,14.7,0.1 -flecainide,20000,nM,IKs,23.3,0.1 -flecainide,20000,nM,IKs,13,0.1 -flecainide,20000,nM,IKs,20.5,0.1 -flecainide,200,nM,Ito,11.3,0.1 -flecainide,200,nM,Ito,8.6,0.1 -flecainide,200,nM,Ito,11.9,0.1 -flecainide,1000,nM,Ito,12.8,0.1 -flecainide,1000,nM,Ito,18.1,0.1 -flecainide,1000,nM,Ito,13.4,0.1 -flecainide,4000,nM,Ito,34.8,0.1 -flecainide,4000,nM,Ito,36.1,0.1 -flecainide,4000,nM,Ito,30.6,0.1 -flecainide,20000,nM,Ito,68.1,0.1 -flecainide,20000,nM,Ito,58.6,0.1 -flecainide,20000,nM,Ito,67.9,0.1 -flecainide,200,nM,INaL,1.8,0.1 -flecainide,200,nM,INaL,6.8,0.1 -flecainide,200,nM,INaL,1.7,0.1 -flecainide,1000,nM,INaL,16.7,0.1 -flecainide,1000,nM,INaL,20.4,0.1 -flecainide,1000,nM,INaL,14.1,0.1 -flecainide,4000,nM,INaL,24.5,0.1 -flecainide,4000,nM,INaL,28.7,0.1 -flecainide,4000,nM,INaL,17.6,0.1 -flecainide,20000,nM,INaL,52.3,0.1 -flecainide,20000,nM,INaL,51.8,0.1 -flecainide,20000,nM,INaL,49.1,0.1 -flecainide,20000,nM,INaL,53.6,0.1 -flecainide,200,nM,INa,0,0.1 -flecainide,200,nM,INa,0.6,0.1 -flecainide,200,nM,INa,0,0.1 -flecainide,1000,nM,INa,0,0.1 -flecainide,1000,nM,INa,4.3,0.1 -flecainide,1000,nM,INa,0.5,0.1 -flecainide,4000,nM,INa,21.4,0.1 -flecainide,4000,nM,INa,33.3,0.1 -flecainide,4000,nM,INa,28.5,0.1 -flecainide,20000,nM,INa,77.6,0.1 -flecainide,20000,nM,INa,88.5,0.1 -flecainide,20000,nM,INa,99.8,0.1 -lidocaine,625,nM,ICaL,1.2,0.1 -lidocaine,625,nM,ICaL,0,0.1 -lidocaine,625,nM,ICaL,0,0.1 -lidocaine,625,nM,ICaL,1.3,0.1 -lidocaine,625,nM,ICaL,0,0.1 -lidocaine,2500,nM,ICaL,0,0.1 -lidocaine,2500,nM,ICaL,0,0.1 -lidocaine,2500,nM,ICaL,3.3,0.1 -lidocaine,2500,nM,ICaL,0,0.1 -lidocaine,5000,nM,ICaL,0,0.1 -lidocaine,5000,nM,ICaL,0,0.1 -lidocaine,5000,nM,ICaL,0,0.1 -lidocaine,10000,nM,ICaL,0,0.1 -lidocaine,10000,nM,ICaL,0,0.1 -lidocaine,10000,nM,ICaL,0,0.1 -lidocaine,625,nM,IK1,0,0.1 -lidocaine,625,nM,IK1,0,0.1 -lidocaine,625,nM,IK1,3.6,0.1 -lidocaine,2500,nM,IK1,0,0.1 -lidocaine,2500,nM,IK1,0,0.1 -lidocaine,2500,nM,IK1,6.9,0.1 -lidocaine,5000,nM,IK1,0,0.1 -lidocaine,5000,nM,IK1,0,0.1 -lidocaine,5000,nM,IK1,19.5,0.1 -lidocaine,10000,nM,IK1,0,0.1 -lidocaine,10000,nM,IK1,0,0.1 -lidocaine,10000,nM,IK1,10.3,0.1 -lidocaine,625,nM,IKs,0,0.1 -lidocaine,625,nM,IKs,0,0.1 -lidocaine,625,nM,IKs,0,0.1 -lidocaine,2500,nM,IKs,0,0.1 -lidocaine,2500,nM,IKs,0,0.1 -lidocaine,2500,nM,IKs,0,0.1 -lidocaine,5000,nM,IKs,0,0.1 -lidocaine,5000,nM,IKs,0,0.1 -lidocaine,5000,nM,IKs,0,0.1 -lidocaine,10000,nM,IKs,0,0.1 -lidocaine,10000,nM,IKs,0,0.1 -lidocaine,10000,nM,IKs,0,0.1 -lidocaine,625,nM,Ito,NA,0.1 -lidocaine,625,nM,Ito,NA,0.1 -lidocaine,625,nM,Ito,NA,0.1 -lidocaine,2500,nM,Ito,7.4,0.1 -lidocaine,2500,nM,Ito,5.9,0.1 -lidocaine,2500,nM,Ito,5.6,0.1 -lidocaine,5000,nM,Ito,6.6,0.1 -lidocaine,5000,nM,Ito,1.1,0.1 -lidocaine,5000,nM,Ito,8,0.1 -lidocaine,10000,nM,Ito,5.1,0.1 -lidocaine,10000,nM,Ito,2.2,0.1 -lidocaine,10000,nM,Ito,4.4,0.1 -lidocaine,15000,nM,Ito,4.1,0.1 -lidocaine,15000,nM,Ito,3.4,0.1 -lidocaine,15000,nM,Ito,10.6,0.1 -lidocaine,625,nM,INaL,1.7,0.1 -lidocaine,625,nM,INaL,4.5,0.1 -lidocaine,625,nM,INaL,5.7,0.1 -lidocaine,2500,nM,INaL,13.3,0.1 -lidocaine,2500,nM,INaL,15,0.1 -lidocaine,2500,nM,INaL,9.2,0.1 -lidocaine,5000,nM,INaL,29.1,0.1 -lidocaine,5000,nM,INaL,32.6,0.1 -lidocaine,5000,nM,INaL,20.8,0.1 -lidocaine,10000,nM,INaL,40.9,0.1 -lidocaine,10000,nM,INaL,49.1,0.1 -lidocaine,10000,nM,INaL,52.8,0.1 -lidocaine,625,nM,INa,0,0.1 -lidocaine,625,nM,INa,0.7,0.1 -lidocaine,625,nM,INa,0,0.1 -lidocaine,2500,nM,INa,0,0.1 -lidocaine,2500,nM,INa,7.3,0.1 -lidocaine,2500,nM,INa,0,0.1 -lidocaine,5000,nM,INa,4.6,0.1 -lidocaine,5000,nM,INa,3.3,0.1 -lidocaine,5000,nM,INa,4.9,0.1 -lidocaine,10000,nM,INa,32.8,0.1 -lidocaine,10000,nM,INa,10.7,0.1 -lidocaine,10000,nM,INa,10.9,0.1 -lopinavir,700,nM,ICaL,2.4,0.1 -lopinavir,700,nM,ICaL,4.9,0.1 -lopinavir,700,nM,ICaL,12,0.1 -lopinavir,2100,nM,ICaL,11.7,0.1 -lopinavir,2100,nM,ICaL,7.6,0.1 -lopinavir,2100,nM,ICaL,21.7,0.1 -lopinavir,7000,nM,ICaL,40.3,0.1 -lopinavir,7000,nM,ICaL,22.5,0.1 -lopinavir,7000,nM,ICaL,19.4,0.1 -lopinavir,35000,nM,ICaL,56.7,0.1 -lopinavir,35000,nM,ICaL,70.9,0.1 -lopinavir,35000,nM,ICaL,85.9,0.1 -lopinavir,700,nM,IK1,0,0.1 -lopinavir,700,nM,IK1,0,0.1 -lopinavir,700,nM,IK1,0,0.1 -lopinavir,2100,nM,IK1,0,0.1 -lopinavir,2100,nM,IK1,0,0.1 -lopinavir,2100,nM,IK1,0,0.1 -lopinavir,7000,nM,IK1,0,0.1 -lopinavir,7000,nM,IK1,0,0.1 -lopinavir,7000,nM,IK1,0,0.1 -lopinavir,35000,nM,IK1,0,0.1 -lopinavir,35000,nM,IK1,0,0.1 -lopinavir,35000,nM,IK1,0,0.1 -lopinavir,700,nM,IKs,0.2,0.1 -lopinavir,700,nM,IKs,1.4,0.1 -lopinavir,700,nM,IKs,1.8,0.1 -lopinavir,2100,nM,IKs,2,0.1 -lopinavir,2100,nM,IKs,3.5,0.1 -lopinavir,2100,nM,IKs,3.2,0.1 -lopinavir,7000,nM,IKs,4.7,0.1 -lopinavir,7000,nM,IKs,3.9,0.1 -lopinavir,7000,nM,IKs,6.3,0.1 -lopinavir,35000,nM,IKs,4.3,0.1 -lopinavir,35000,nM,IKs,4.4,0.1 -lopinavir,35000,nM,IKs,6.5,0.1 -lopinavir,35000,nM,IKs,9.9,0.1 -lopinavir,35000,nM,IKs,3.1,0.1 -lopinavir,700,nM,Ito,1.1,0.1 -lopinavir,700,nM,Ito,0,0.1 -lopinavir,700,nM,Ito,0,0.1 -lopinavir,2100,nM,Ito,11.3,0.1 -lopinavir,2100,nM,Ito,3.9,0.1 -lopinavir,2100,nM,Ito,7.4,0.1 -lopinavir,7000,nM,Ito,7.3,0.1 -lopinavir,7000,nM,Ito,6.8,0.1 -lopinavir,7000,nM,Ito,5.5,0.1 -lopinavir,35000,nM,Ito,45.9,0.1 -lopinavir,35000,nM,Ito,24.3,0.1 -lopinavir,35000,nM,Ito,31.8,0.1 -lopinavir,700,nM,INaL,0,0.1 -lopinavir,700,nM,INaL,0,0.1 -lopinavir,700,nM,INaL,0.2,0.1 -lopinavir,2100,nM,INaL,0,0.1 -lopinavir,2100,nM,INaL,0,0.1 -lopinavir,2100,nM,INaL,0,0.1 -lopinavir,7000,nM,INaL,0,0.1 -lopinavir,7000,nM,INaL,0,0.1 -lopinavir,7000,nM,INaL,0,0.1 -lopinavir,35000,nM,INaL,1.5,0.1 -lopinavir,35000,nM,INaL,5.1,0.1 -lopinavir,35000,nM,INaL,8.4,0.1 -lopinavir,700,nM,INa,1.4,0.1 -lopinavir,700,nM,INa,0.1,0.1 -lopinavir,700,nM,INa,0,0.1 -lopinavir,2100,nM,INa,3.1,0.1 -lopinavir,2100,nM,INa,0,0.1 -lopinavir,2100,nM,INa,0,0.1 -lopinavir,7000,nM,INa,4.4,0.1 -lopinavir,7000,nM,INa,0,0.1 -lopinavir,7000,nM,INa,0.5,0.1 -lopinavir,35000,nM,INa,16.8,0.1 -lopinavir,35000,nM,INa,19.9,0.1 -lopinavir,35000,nM,INa,0,0.1 -mexiletine,625,nM,ICaL,0.2,0.1 -mexiletine,625,nM,ICaL,0,0.1 -mexiletine,625,nM,ICaL,1.1,0.1 -mexiletine,2500,nM,ICaL,6.1,0.1 -mexiletine,2500,nM,ICaL,0,0.1 -mexiletine,2500,nM,ICaL,8.2,0.1 -mexiletine,5000,nM,ICaL,14,0.1 -mexiletine,5000,nM,ICaL,7.6,0.1 -mexiletine,5000,nM,ICaL,15.9,0.1 -mexiletine,10000,nM,ICaL,21.5,0.1 -mexiletine,10000,nM,ICaL,13.9,0.1 -mexiletine,10000,nM,ICaL,23.1,0.1 -mexiletine,625,nM,IK1,2.4,0.1 -mexiletine,625,nM,IK1,0,0.1 -mexiletine,625,nM,IK1,1.3,0.1 -mexiletine,2500,nM,IK1,0.4,0.1 -mexiletine,2500,nM,IK1,0,0.1 -mexiletine,2500,nM,IK1,0.3,0.1 -mexiletine,5000,nM,IK1,0.9,0.1 -mexiletine,5000,nM,IK1,0,0.1 -mexiletine,5000,nM,IK1,5.3,0.1 -mexiletine,10000,nM,IK1,0,0.1 -mexiletine,10000,nM,IK1,0,0.1 -mexiletine,10000,nM,IK1,1.8,0.1 -mexiletine,625,nM,IKs,0,0.1 -mexiletine,625,nM,IKs,0,0.1 -mexiletine,625,nM,IKs,0,0.1 -mexiletine,2500,nM,IKs,0,0.1 -mexiletine,2500,nM,IKs,0,0.1 -mexiletine,2500,nM,IKs,0,0.1 -mexiletine,5000,nM,IKs,0,0.1 -mexiletine,5000,nM,IKs,0,0.1 -mexiletine,5000,nM,IKs,0,0.1 -mexiletine,10000,nM,IKs,0,0.1 -mexiletine,10000,nM,IKs,0,0.1 -mexiletine,10000,nM,IKs,0,0.1 -mexiletine,625,nM,Ito,3.1,0.1 -mexiletine,625,nM,Ito,2.4,0.1 -mexiletine,625,nM,Ito,0,0.1 -mexiletine,2500,nM,Ito,2.2,0.1 -mexiletine,2500,nM,Ito,2.4,0.1 -mexiletine,2500,nM,Ito,0.02,0.1 -mexiletine,5000,nM,Ito,2.8,0.1 -mexiletine,5000,nM,Ito,2.9,0.1 -mexiletine,5000,nM,Ito,1,0.1 -mexiletine,10000,nM,Ito,2.2,0.1 -mexiletine,10000,nM,Ito,0.8,0.1 -mexiletine,10000,nM,Ito,1,0.1 -mexiletine,10000,nM,Ito,0,0.1 -mexiletine,625,nM,INaL,1.7,0.1 -mexiletine,625,nM,INaL,4.2,0.1 -mexiletine,625,nM,INaL,1.6,0.1 -mexiletine,2500,nM,INaL,13.6,0.1 -mexiletine,2500,nM,INaL,6.4,0.1 -mexiletine,2500,nM,INaL,10.4,0.1 -mexiletine,5000,nM,INaL,36.9,0.1 -mexiletine,5000,nM,INaL,26.8,0.1 -mexiletine,5000,nM,INaL,41.7,0.1 -mexiletine,10000,nM,INaL,54.9,0.1 -mexiletine,10000,nM,INaL,41.7,0.1 -mexiletine,10000,nM,INaL,59.2,0.1 -mexiletine,625,nM,INa,0,0.1 -mexiletine,625,nM,INa,0,0.1 -mexiletine,625,nM,INa,3.4,0.1 -mexiletine,2500,nM,INa,0,0.1 -mexiletine,2500,nM,INa,0,0.1 -mexiletine,2500,nM,INa,2.4,0.1 -mexiletine,5000,nM,INa,0,0.1 -mexiletine,5000,nM,INa,0,0.1 -mexiletine,5000,nM,INa,0,0.1 -mexiletine,10000,nM,INa,1,0.1 -mexiletine,10000,nM,INa,4.4,0.1 -mexiletine,10000,nM,INa,13,0.1 -mibefradil,12,nM,ICaL,0.7,0.1 -mibefradil,12,nM,ICaL,3.6,0.1 -mibefradil,12,nM,ICaL,0,0.1 -mibefradil,120,nM,ICaL,11.7,0.1 -mibefradil,120,nM,ICaL,13.9,0.1 -mibefradil,120,nM,ICaL,9.2,0.1 -mibefradil,1200,nM,ICaL,54.1,0.1 -mibefradil,1200,nM,ICaL,82.4,0.1 -mibefradil,1200,nM,ICaL,67.7,0.1 -mibefradil,12000,nM,ICaL,86.7,0.1 -mibefradil,12000,nM,ICaL,98.4,0.1 -mibefradil,12000,nM,ICaL,85.9,0.1 -mibefradil,12,nM,IK1,0,0.1 -mibefradil,12,nM,IK1,0,0.1 -mibefradil,12,nM,IK1,0,0.1 -mibefradil,120,nM,IK1,0,0.1 -mibefradil,120,nM,IK1,0,0.1 -mibefradil,120,nM,IK1,0,0.1 -mibefradil,1200,nM,IK1,6.5,0.1 -mibefradil,1200,nM,IK1,8.3,0.1 -mibefradil,1200,nM,IK1,7.2,0.1 -mibefradil,12000,nM,IK1,22.3,0.1 -mibefradil,12000,nM,IK1,25.1,0.1 -mibefradil,12000,nM,IK1,31.2,0.1 -mibefradil,12,nM,IKs,0,0.1 -mibefradil,12,nM,IKs,5.4,0.1 -mibefradil,12,nM,IKs,0,0.1 -mibefradil,120,nM,IKs,0,0.1 -mibefradil,120,nM,IKs,4.1,0.1 -mibefradil,120,nM,IKs,3,0.1 -mibefradil,1200,nM,IKs,0,0.1 -mibefradil,1200,nM,IKs,4.9,0.1 -mibefradil,1200,nM,IKs,0.8,0.1 -mibefradil,12000,nM,IKs,3.6,0.1 -mibefradil,12000,nM,IKs,8.9,0.1 -mibefradil,12000,nM,IKs,3.6,0.1 -mibefradil,12000,nM,IKs,2.2,0.1 -mibefradil,12000,nM,IKs,7.1,0.1 -mibefradil,12,nM,Ito,0,0.1 -mibefradil,12,nM,Ito,0,0.1 -mibefradil,12,nM,Ito,0,0.1 -mibefradil,120,nM,Ito,0,0.1 -mibefradil,120,nM,Ito,1.4,0.1 -mibefradil,120,nM,Ito,1.9,0.1 -mibefradil,1200,nM,Ito,1.5,0.1 -mibefradil,1200,nM,Ito,0,0.1 -mibefradil,1200,nM,Ito,3,0.1 -mibefradil,12000,nM,Ito,4,0.1 -mibefradil,12000,nM,Ito,1.3,0.1 -mibefradil,12000,nM,Ito,6.5,0.1 -mibefradil,12000,nM,Ito,5.2,0.1 -mibefradil,12000,nM,Ito,10.4,0.1 -mibefradil,12,nM,INaL,1.7,0.1 -mibefradil,12,nM,INaL,0,0.1 -mibefradil,12,nM,INaL,0.2,0.1 -mibefradil,120,nM,INaL,9.1,0.1 -mibefradil,120,nM,INaL,0,0.1 -mibefradil,120,nM,INaL,0.4,0.1 -mibefradil,1200,nM,INaL,28.8,0.1 -mibefradil,1200,nM,INaL,12.1,0.1 -mibefradil,1200,nM,INaL,19,0.1 -mibefradil,12000,nM,INaL,79.7,0.1 -mibefradil,12000,nM,INaL,87.3,0.1 -mibefradil,12000,nM,INaL,77.9,0.1 -mibefradil,12,nM,INa,0,0.1 -mibefradil,12,nM,INa,0.6,0.1 -mibefradil,12,nM,INa,0,0.1 -mibefradil,120,nM,INa,0,0.1 -mibefradil,120,nM,INa,3.2,0.1 -mibefradil,120,nM,INa,0,0.1 -mibefradil,1200,nM,INa,12.6,0.1 -mibefradil,1200,nM,INa,16.8,0.1 -mibefradil,1200,nM,INa,26.6,0.1 -mibefradil,12000,nM,INa,52.6,0.1 -mibefradil,12000,nM,INa,73.6,0.1 -mibefradil,12000,nM,INa,72.3,0.1 -moxifloxacin,7000,nM,ICaL,0,0.1 -moxifloxacin,7000,nM,ICaL,0,0.1 -moxifloxacin,7000,nM,ICaL,0,0.1 -moxifloxacin,21000,nM,ICaL,0,0.1 -moxifloxacin,21000,nM,ICaL,0,0.1 -moxifloxacin,21000,nM,ICaL,0,0.1 -moxifloxacin,70000,nM,ICaL,0,0.1 -moxifloxacin,70000,nM,ICaL,0,0.1 -moxifloxacin,70000,nM,ICaL,0,0.1 -moxifloxacin,350000,nM,ICaL,2.9,0.1 -moxifloxacin,350000,nM,ICaL,0,0.1 -moxifloxacin,350000,nM,ICaL,14.2,0.1 -moxifloxacin,7000,nM,IK1,11,0.1 -moxifloxacin,7000,nM,IK1,0,0.1 -moxifloxacin,7000,nM,IK1,0,0.1 -moxifloxacin,21000,nM,IK1,12.1,0.1 -moxifloxacin,21000,nM,IK1,0,0.1 -moxifloxacin,21000,nM,IK1,0,0.1 -moxifloxacin,70000,nM,IK1,0,0.1 -moxifloxacin,70000,nM,IK1,0,0.1 -moxifloxacin,70000,nM,IK1,0,0.1 -moxifloxacin,70000,nM,IK1,0,0.1 -moxifloxacin,350000,nM,IK1,9.9,0.1 -moxifloxacin,350000,nM,IK1,0,0.1 -moxifloxacin,350000,nM,IK1,0,0.1 -moxifloxacin,7000,nM,IKs,0,0.1 -moxifloxacin,7000,nM,IKs,7.9,0.1 -moxifloxacin,7000,nM,IKs,0.7,0.1 -moxifloxacin,7000,nM,IKs,3.9,0.1 -moxifloxacin,7000,nM,IKs,15.5,0.1 -moxifloxacin,21000,nM,IKs,35.8,0.1 -moxifloxacin,21000,nM,IKs,34.1,0.1 -moxifloxacin,21000,nM,IKs,22.7,0.1 -moxifloxacin,21000,nM,IKs,39.6,0.1 -moxifloxacin,21000,nM,IKs,34.8,0.1 -moxifloxacin,70000,nM,IKs,49.7,0.1 -moxifloxacin,70000,nM,IKs,78.3,0.1 -moxifloxacin,70000,nM,IKs,35,0.1 -moxifloxacin,70000,nM,IKs,83.4,0.1 -moxifloxacin,70000,nM,IKs,54.8,0.1 -moxifloxacin,350000,nM,IKs,73.1,0.1 -moxifloxacin,350000,nM,IKs,97.2,0.1 -moxifloxacin,350000,nM,IKs,65.1,0.1 -moxifloxacin,350000,nM,IKs,100,0.1 -moxifloxacin,350000,nM,IKs,76.4,0.1 -moxifloxacin,7000,nM,Ito,0.2,0.1 -moxifloxacin,7000,nM,Ito,0,0.1 -moxifloxacin,7000,nM,Ito,0,0.1 -moxifloxacin,21000,nM,Ito,0.04,0.1 -moxifloxacin,21000,nM,Ito,1.9,0.1 -moxifloxacin,21000,nM,Ito,4.6,0.1 -moxifloxacin,70000,nM,Ito,0,0.1 -moxifloxacin,70000,nM,Ito,0,0.1 -moxifloxacin,70000,nM,Ito,0,0.1 -moxifloxacin,350000,nM,Ito,2,0.1 -moxifloxacin,350000,nM,Ito,4.3,0.1 -moxifloxacin,350000,nM,Ito,16.7,0.1 -moxifloxacin,7000,nM,INaL,1.9,0.1 -moxifloxacin,7000,nM,INaL,2,0.1 -moxifloxacin,7000,nM,INaL,1.7,0.1 -moxifloxacin,21000,nM,INaL,8.1,0.1 -moxifloxacin,21000,nM,INaL,0,0.1 -moxifloxacin,21000,nM,INaL,2.8,0.1 -moxifloxacin,70000,nM,INaL,15.9,0.1 -moxifloxacin,70000,nM,INaL,9,0.1 -moxifloxacin,70000,nM,INaL,13.9,0.1 -moxifloxacin,350000,nM,INaL,54.3,0.1 -moxifloxacin,350000,nM,INaL,49.3,0.1 -moxifloxacin,350000,nM,INaL,39.1,0.1 -moxifloxacin,7000,nM,INa,2.4,0.1 -moxifloxacin,7000,nM,INa,0,0.1 -moxifloxacin,7000,nM,INa,0,0.1 -moxifloxacin,21000,nM,INa,3.5,0.1 -moxifloxacin,21000,nM,INa,0,0.1 -moxifloxacin,21000,nM,INa,0,0.1 -moxifloxacin,70000,nM,INa,4.6,0.1 -moxifloxacin,70000,nM,INa,0,0.1 -moxifloxacin,70000,nM,INa,0,0.1 -moxifloxacin,350000,nM,INa,28.2,0.1 -moxifloxacin,350000,nM,INa,35.1,0.1 -moxifloxacin,350000,nM,INa,19.1,0.1 -moxifloxacin.m2,7000,nM,ICaL,NA,0.1 -moxifloxacin.m2,7000,nM,ICaL,NA,0.1 -moxifloxacin.m2,7000,nM,ICaL,NA,0.1 -moxifloxacin.m2,21000,nM,ICaL,NA,0.1 -moxifloxacin.m2,21000,nM,ICaL,NA,0.1 -moxifloxacin.m2,21000,nM,ICaL,NA,0.1 -moxifloxacin.m2,7000,nM,IKs,NA,0.1 -moxifloxacin.m2,7000,nM,IKs,NA,0.1 -moxifloxacin.m2,7000,nM,IKs,NA,0.1 -moxifloxacin.m2,21000,nM,IKs,NA,0.1 -moxifloxacin.m2,21000,nM,IKs,NA,0.1 -moxifloxacin.m2,21000,nM,IKs,NA,0.1 -nilotinib,60,nM,ICaL,0,0.1 -nilotinib,60,nM,ICaL,0.8,0.1 -nilotinib,60,nM,ICaL,1.4,0.1 -nilotinib,300,nM,ICaL,1.7,0.1 -nilotinib,300,nM,ICaL,1.8,0.1 -nilotinib,300,nM,ICaL,2.6,0.1 -nilotinib,1800,nM,ICaL,2.2,0.1 -nilotinib,1800,nM,ICaL,1.4,0.1 -nilotinib,1800,nM,ICaL,2.4,0.1 -nilotinib,6000,nM,ICaL,16.7,0.1 -nilotinib,6000,nM,ICaL,8.8,0.1 -nilotinib,6000,nM,ICaL,5.9,0.1 -nilotinib,60,nM,IK1,0,0.1 -nilotinib,60,nM,IK1,0,0.1 -nilotinib,60,nM,IK1,0,0.1 -nilotinib,300,nM,IK1,0,0.1 -nilotinib,300,nM,IK1,0,0.1 -nilotinib,300,nM,IK1,0,0.1 -nilotinib,1800,nM,IK1,0,0.1 -nilotinib,1800,nM,IK1,0,0.1 -nilotinib,1800,nM,IK1,0,0.1 -nilotinib,6000,nM,IK1,1.3,0.1 -nilotinib,6000,nM,IK1,0,0.1 -nilotinib,6000,nM,IK1,0,0.1 -nilotinib,60,nM,IKs,1.1,0.1 -nilotinib,60,nM,IKs,2,0.1 -nilotinib,60,nM,IKs,1.4,0.1 -nilotinib,300,nM,IKs,5.4,0.1 -nilotinib,300,nM,IKs,0.7,0.1 -nilotinib,300,nM,IKs,0.8,0.1 -nilotinib,1800,nM,IKs,0,0.1 -nilotinib,1800,nM,IKs,1.2,0.1 -nilotinib,1800,nM,IKs,2.9,0.1 -nilotinib,6000,nM,IKs,15.5,0.1 -nilotinib,6000,nM,IKs,9,0.1 -nilotinib,6000,nM,IKs,3.3,0.1 -nilotinib,60,nM,Ito,0.7,0.1 -nilotinib,60,nM,Ito,0,0.1 -nilotinib,60,nM,Ito,0,0.1 -nilotinib,300,nM,Ito,0.3,0.1 -nilotinib,300,nM,Ito,0,0.1 -nilotinib,300,nM,Ito,0,0.1 -nilotinib,1800,nM,Ito,1.4,0.1 -nilotinib,1800,nM,Ito,2.8,0.1 -nilotinib,1800,nM,Ito,0.4,0.1 -nilotinib,6000,nM,Ito,7.6,0.1 -nilotinib,6000,nM,Ito,12,0.1 -nilotinib,6000,nM,Ito,7.2,0.1 -nilotinib,6000,nM,Ito,1.5,0.1 -nilotinib,60,nM,INaL,0,0.1 -nilotinib,60,nM,INaL,0.8,0.1 -nilotinib,60,nM,INaL,3.4,0.1 -nilotinib,300,nM,INaL,1.2,0.1 -nilotinib,300,nM,INaL,6.7,0.1 -nilotinib,300,nM,INaL,3.3,0.1 -nilotinib,1800,nM,INaL,9.8,0.1 -nilotinib,1800,nM,INaL,16.2,0.1 -nilotinib,1800,nM,INaL,14.8,0.1 -nilotinib,6000,nM,INaL,61.1,0.1 -nilotinib,6000,nM,INaL,48.7,0.1 -nilotinib,6000,nM,INaL,74.4,0.1 -nilotinib,60,nM,INa,0,0.1 -nilotinib,60,nM,INa,0,0.1 -nilotinib,60,nM,INa,0,0.1 -nilotinib,300,nM,INa,2.4,0.1 -nilotinib,300,nM,INa,0,0.1 -nilotinib,300,nM,INa,0.7,0.1 -nilotinib,1800,nM,INa,3.5,0.1 -nilotinib,1800,nM,INa,0,0.1 -nilotinib,1800,nM,INa,0,0.1 -nilotinib,6000,nM,INa,13.3,0.1 -nilotinib,6000,nM,INa,6,0.1 -nilotinib,6000,nM,INa,2.2,0.1 -ondansetron,200,nM,ICaL,0.3,0.1 -ondansetron,200,nM,ICaL,5.8,0.1 -ondansetron,200,nM,ICaL,6.5,0.1 -ondansetron,200,nM,ICaL,1.3,0.1 -ondansetron,1000,nM,ICaL,1,0.1 -ondansetron,1000,nM,ICaL,7.7,0.1 -ondansetron,1000,nM,ICaL,11.4,0.1 -ondansetron,4000,nM,ICaL,27.9,0.1 -ondansetron,4000,nM,ICaL,13.9,0.1 -ondansetron,4000,nM,ICaL,26.5,0.1 -ondansetron,20000,nM,ICaL,35.1,0.1 -ondansetron,20000,nM,ICaL,50.7,0.1 -ondansetron,20000,nM,ICaL,56.3,0.1 -ondansetron,200,nM,IK1,0,0.1 -ondansetron,200,nM,IK1,0,0.1 -ondansetron,200,nM,IK1,0,0.1 -ondansetron,1000,nM,IK1,0,0.1 -ondansetron,1000,nM,IK1,0,0.1 -ondansetron,1000,nM,IK1,0,0.1 -ondansetron,4000,nM,IK1,0,0.1 -ondansetron,4000,nM,IK1,0,0.1 -ondansetron,4000,nM,IK1,0,0.1 -ondansetron,20000,nM,IK1,0.9,0.1 -ondansetron,20000,nM,IK1,5.6,0.1 -ondansetron,20000,nM,IK1,2.4,0.1 -ondansetron,20000,nM,IK1,NA,0.1 -ondansetron,200,nM,IKs,0,0.1 -ondansetron,200,nM,IKs,0,0.1 -ondansetron,200,nM,IKs,0,0.1 -ondansetron,1000,nM,IKs,0,0.1 -ondansetron,1000,nM,IKs,0,0.1 -ondansetron,1000,nM,IKs,3,0.1 -ondansetron,4000,nM,IKs,4.8,0.1 -ondansetron,4000,nM,IKs,0.03,0.1 -ondansetron,4000,nM,IKs,8.5,0.1 -ondansetron,20000,nM,IKs,10.8,0.1 -ondansetron,20000,nM,IKs,9.3,0.1 -ondansetron,20000,nM,IKs,9.7,0.1 -ondansetron,200,nM,Ito,0,0.1 -ondansetron,200,nM,Ito,0,0.1 -ondansetron,200,nM,Ito,0,0.1 -ondansetron,1000,nM,Ito,0,0.1 -ondansetron,1000,nM,Ito,0,0.1 -ondansetron,1000,nM,Ito,0,0.1 -ondansetron,4000,nM,Ito,0,0.1 -ondansetron,4000,nM,Ito,0,0.1 -ondansetron,4000,nM,Ito,1.4,0.1 -ondansetron,20000,nM,Ito,0.08,0.1 -ondansetron,20000,nM,Ito,0,0.1 -ondansetron,20000,nM,Ito,7.9,0.1 -ondansetron,20000,nM,Ito,0,0.1 -ondansetron,200,nM,INaL,1.8,0.1 -ondansetron,200,nM,INaL,0.7,0.1 -ondansetron,200,nM,INaL,0.3,0.1 -ondansetron,1000,nM,INaL,6,0.1 -ondansetron,1000,nM,INaL,2.4,0.1 -ondansetron,1000,nM,INaL,16.2,0.1 -ondansetron,4000,nM,INaL,13.5,0.1 -ondansetron,4000,nM,INaL,12.8,0.1 -ondansetron,4000,nM,INaL,16.7,0.1 -ondansetron,20000,nM,INaL,58.2,0.1 -ondansetron,20000,nM,INaL,52.3,0.1 -ondansetron,20000,nM,INaL,44.4,0.1 -ondansetron,200,nM,INa,0,0.1 -ondansetron,200,nM,INa,1.9,0.1 -ondansetron,200,nM,INa,0,0.1 -ondansetron,1000,nM,INa,5.5,0.1 -ondansetron,1000,nM,INa,3,0.1 -ondansetron,1000,nM,INa,1.2,0.1 -ondansetron,4000,nM,INa,9.4,0.1 -ondansetron,4000,nM,INa,2.9,0.1 -ondansetron,4000,nM,INa,3.6,0.1 -ondansetron,20000,nM,INa,37.5,0.1 -ondansetron,20000,nM,INa,45.2,0.1 -ondansetron,20000,nM,INa,9.8,0.1 -ondansetron,20000,nM,INa,9.3,0.1 -propafenone,130,nM,ICaL,7.2,0.1 -propafenone,130,nM,ICaL,8,0.1 -propafenone,130,nM,ICaL,8.2,0.1 -propafenone,390,nM,ICaL,26,0.1 -propafenone,390,nM,ICaL,16.8,0.1 -propafenone,390,nM,ICaL,20.5,0.1 -propafenone,1300,nM,ICaL,42.9,0.1 -propafenone,1300,nM,ICaL,49.1,0.1 -propafenone,1300,nM,ICaL,58.2,0.1 -propafenone,6500,nM,ICaL,68.4,0.1 -propafenone,6500,nM,ICaL,77.6,0.1 -propafenone,6500,nM,ICaL,79.5,0.1 -propafenone,130,nM,IK1,0,0.1 -propafenone,130,nM,IK1,0,0.1 -propafenone,130,nM,IK1,0,0.1 -propafenone,390,nM,IK1,0,0.1 -propafenone,390,nM,IK1,0,0.1 -propafenone,390,nM,IK1,0,0.1 -propafenone,1300,nM,IK1,0,0.1 -propafenone,1300,nM,IK1,0,0.1 -propafenone,1300,nM,IK1,0,0.1 -propafenone,6500,nM,IK1,5.3,0.1 -propafenone,6500,nM,IK1,3.8,0.1 -propafenone,6500,nM,IK1,1.1,0.1 -propafenone,130,nM,IKs,0.1,0.1 -propafenone,130,nM,IKs,1,0.1 -propafenone,130,nM,IKs,0.5,0.1 -propafenone,390,nM,IKs,0,0.1 -propafenone,390,nM,IKs,2,0.1 -propafenone,390,nM,IKs,3,0.1 -propafenone,1300,nM,IKs,0.3,0.1 -propafenone,1300,nM,IKs,3.2,0.1 -propafenone,1300,nM,IKs,7.2,0.1 -propafenone,6500,nM,IKs,19.9,0.1 -propafenone,6500,nM,IKs,18.4,0.1 -propafenone,6500,nM,IKs,34.3,0.1 -propafenone,130,nM,Ito,0,0.1 -propafenone,130,nM,Ito,0.6,0.1 -propafenone,130,nM,Ito,1.3,0.1 -propafenone,390,nM,Ito,0,0.1 -propafenone,390,nM,Ito,0,0.1 -propafenone,390,nM,Ito,1.2,0.1 -propafenone,1300,nM,Ito,5,0.1 -propafenone,1300,nM,Ito,15.1,0.1 -propafenone,1300,nM,Ito,8.9,0.1 -propafenone,6500,nM,Ito,18.8,0.1 -propafenone,6500,nM,Ito,28.3,0.1 -propafenone,6500,nM,Ito,15.7,0.1 -propafenone,130,nM,INaL,4.4,0.1 -propafenone,130,nM,INaL,0.6,0.1 -propafenone,130,nM,INaL,0,0.1 -propafenone,390,nM,INaL,12.1,0.1 -propafenone,390,nM,INaL,3.2,0.1 -propafenone,390,nM,INaL,6.4,0.1 -propafenone,1300,nM,INaL,34.2,0.1 -propafenone,1300,nM,INaL,27.4,0.1 -propafenone,1300,nM,INaL,36.9,0.1 -propafenone,6500,nM,INaL,57.5,0.1 -propafenone,6500,nM,INaL,42.9,0.1 -propafenone,6500,nM,INaL,55.5,0.1 -propafenone,6500,nM,INaL,78.3,0.1 -propafenone,130,nM,INa,0,0.1 -propafenone,130,nM,INa,1.4,0.1 -propafenone,130,nM,INa,0.6,0.1 -propafenone,390,nM,INa,2.5,0.1 -propafenone,390,nM,INa,15.1,0.1 -propafenone,390,nM,INa,5.1,0.1 -propafenone,1300,nM,INa,21.2,0.1 -propafenone,1300,nM,INa,38.8,0.1 -propafenone,1300,nM,INa,32.4,0.1 -propafenone,6500,nM,INa,59.6,0.1 -propafenone,6500,nM,INa,67.7,0.1 -propafenone,6500,nM,INa,52.7,0.1 -quinidine,300,nM,ICaL,3.2,0.1 -quinidine,300,nM,ICaL,3.4,0.1 -quinidine,300,nM,ICaL,0.09,0.1 -quinidine,900,nM,ICaL,9.4,0.1 -quinidine,900,nM,ICaL,10.6,0.1 -quinidine,900,nM,ICaL,10.3,0.1 -quinidine,2700,nM,ICaL,15.1,0.1 -quinidine,2700,nM,ICaL,15.8,0.1 -quinidine,2700,nM,ICaL,16.3,0.1 -quinidine,5400,nM,ICaL,23.2,0.1 -quinidine,5400,nM,ICaL,18.2,0.1 -quinidine,5400,nM,ICaL,19.1,0.1 -quinidine,300,nM,IK1,0,0.1 -quinidine,300,nM,IK1,0,0.1 -quinidine,300,nM,IK1,5.2,0.1 -quinidine,900,nM,IK1,0,0.1 -quinidine,900,nM,IK1,11,0.1 -quinidine,900,nM,IK1,0,0.1 -quinidine,2700,nM,IK1,0,0.1 -quinidine,2700,nM,IK1,0,0.1 -quinidine,2700,nM,IK1,3,0.1 -quinidine,5400,nM,IK1,0.4,0.1 -quinidine,5400,nM,IK1,3.9,0.1 -quinidine,5400,nM,IK1,12.5,0.1 -quinidine,300,nM,IKs,0,0.1 -quinidine,300,nM,IKs,0,0.1 -quinidine,300,nM,IKs,6.2,0.1 -quinidine,900,nM,IKs,13.1,0.1 -quinidine,900,nM,IKs,11,0.1 -quinidine,900,nM,IKs,15.7,0.1 -quinidine,2700,nM,IKs,25.1,0.1 -quinidine,2700,nM,IKs,33.8,0.1 -quinidine,2700,nM,IKs,20.8,0.1 -quinidine,5400,nM,IKs,48.9,0.1 -quinidine,5400,nM,IKs,49.2,0.1 -quinidine,5400,nM,IKs,68.4,0.1 -quinidine,300,nM,Ito,9.7,0.1 -quinidine,300,nM,Ito,4.7,0.1 -quinidine,300,nM,Ito,3.3,0.1 -quinidine,900,nM,Ito,12.4,0.1 -quinidine,900,nM,Ito,13.6,0.1 -quinidine,900,nM,Ito,17.6,0.1 -quinidine,2700,nM,Ito,31.7,0.1 -quinidine,2700,nM,Ito,50,0.1 -quinidine,2700,nM,Ito,42.1,0.1 -quinidine,5400,nM,Ito,63.1,0.1 -quinidine,5400,nM,Ito,69.3,0.1 -quinidine,5400,nM,Ito,60.3,0.1 -quinidine,300,nM,INaL,1.3,0.1 -quinidine,300,nM,INaL,5.6,0.1 -quinidine,300,nM,INaL,3.6,0.1 -quinidine,900,nM,INaL,0,0.1 -quinidine,900,nM,INaL,1.6,0.1 -quinidine,900,nM,INaL,3.1,0.1 -quinidine,2700,nM,INaL,13.7,0.1 -quinidine,2700,nM,INaL,19.7,0.1 -quinidine,2700,nM,INaL,17.8,0.1 -quinidine,5400,nM,INaL,27.7,0.1 -quinidine,5400,nM,INaL,34.3,0.1 -quinidine,5400,nM,INaL,33.5,0.1 -quinidine,300,nM,INa,0.3,0.1 -quinidine,300,nM,INa,0,0.1 -quinidine,300,nM,INa,0,0.1 -quinidine,900,nM,INa,0,0.1 -quinidine,900,nM,INa,0.3,0.1 -quinidine,900,nM,INa,2,0.1 -quinidine,2700,nM,INa,4.2,0.1 -quinidine,2700,nM,INa,11.2,0.1 -quinidine,2700,nM,INa,15,0.1 -quinidine,5400,nM,INa,26.5,0.1 -quinidine,5400,nM,INa,16.4,0.1 -quinidine,5400,nM,INa,24.1,0.1 -quinine,4000,nM,ICaL,18.1,0.1 -quinine,4000,nM,ICaL,15.8,0.1 -quinine,4000,nM,ICaL,12.7,0.1 -quinine,12000,nM,ICaL,30.7,0.1 -quinine,12000,nM,ICaL,37,0.1 -quinine,12000,nM,ICaL,18.2,0.1 -quinine,40000,nM,ICaL,63.4,0.1 -quinine,40000,nM,ICaL,61.4,0.1 -quinine,40000,nM,ICaL,52.1,0.1 -quinine,2e+05,nM,ICaL,94.1,0.1 -quinine,2e+05,nM,ICaL,87.6,0.1 -quinine,2e+05,nM,ICaL,89.4,0.1 -quinine,4000,nM,IK1,0,0.1 -quinine,4000,nM,IK1,0,0.1 -quinine,4000,nM,IK1,0,0.1 -quinine,12000,nM,IK1,0,0.1 -quinine,12000,nM,IK1,0,0.1 -quinine,12000,nM,IK1,0,0.1 -quinine,40000,nM,IK1,0,0.1 -quinine,40000,nM,IK1,1.3,0.1 -quinine,40000,nM,IK1,0,0.1 -quinine,2e+05,nM,IK1,6.8,0.1 -quinine,2e+05,nM,IK1,4.2,0.1 -quinine,2e+05,nM,IK1,0,0.1 -quinine,4000,nM,IKs,6.5,0.1 -quinine,4000,nM,IKs,5.7,0.1 -quinine,4000,nM,IKs,21.3,0.1 -quinine,12000,nM,IKs,22.8,0.1 -quinine,12000,nM,IKs,15.3,0.1 -quinine,12000,nM,IKs,21.6,0.1 -quinine,40000,nM,IKs,39.4,0.1 -quinine,40000,nM,IKs,69.1,0.1 -quinine,40000,nM,IKs,51.5,0.1 -quinine,2e+05,nM,IKs,78.7,0.1 -quinine,2e+05,nM,IKs,75.5,0.1 -quinine,2e+05,nM,IKs,96.6,0.1 -quinine,2e+05,nM,IKs,89.9,0.1 -quinine,4000,nM,Ito,8.1,0.1 -quinine,4000,nM,Ito,5.6,0.1 -quinine,4000,nM,Ito,3.6,0.1 -quinine,12000,nM,Ito,19.3,0.1 -quinine,12000,nM,Ito,12.7,0.1 -quinine,12000,nM,Ito,13.1,0.1 -quinine,40000,nM,Ito,23.8,0.1 -quinine,40000,nM,Ito,37.1,0.1 -quinine,40000,nM,Ito,31,0.1 -quinine,40000,nM,Ito,41.4,0.1 -quinine,2e+05,nM,Ito,66.7,0.1 -quinine,2e+05,nM,Ito,67.8,0.1 -quinine,2e+05,nM,Ito,66.2,0.1 -quinine,2e+05,nM,Ito,78.5,0.1 -quinine,2e+05,nM,Ito,76.7,0.1 -quinine,4000,nM,INaL,44.9,0.1 -quinine,4000,nM,INaL,44.8,0.1 -quinine,4000,nM,INaL,54.6,0.1 -quinine,12000,nM,INaL,46.8,0.1 -quinine,12000,nM,INaL,52.7,0.1 -quinine,12000,nM,INaL,30,0.1 -quinine,40000,nM,INaL,30.3,0.1 -quinine,40000,nM,INaL,59.6,0.1 -quinine,40000,nM,INaL,79.6,0.1 -quinine,2e+05,nM,INaL,81.6,0.1 -quinine,2e+05,nM,INaL,79.8,0.1 -quinine,2e+05,nM,INaL,87.6,0.1 -quinine,2e+05,nM,INaL,79.7,0.1 -quinine,4000,nM,INa,26.8,0.1 -quinine,4000,nM,INa,6.7,0.1 -quinine,4000,nM,INa,12.4,0.1 -quinine,12000,nM,INa,36.6,0.1 -quinine,12000,nM,INa,13.6,0.1 -quinine,12000,nM,INa,34.4,0.1 -quinine,40000,nM,INa,62,0.1 -quinine,40000,nM,INa,60.7,0.1 -quinine,40000,nM,INa,73.2,0.1 -quinine,2e+05,nM,INa,88.6,0.1 -quinine,2e+05,nM,INa,100,0.1 -quinine,2e+05,nM,INa,84.4,0.1 -ranolazine,575,nM,ICaL,0,0.1 -ranolazine,575,nM,ICaL,0,0.1 -ranolazine,575,nM,ICaL,0,0.1 -ranolazine,2300,nM,ICaL,0,0.1 -ranolazine,2300,nM,ICaL,0,0.1 -ranolazine,2300,nM,ICaL,0,0.1 -ranolazine,6900,nM,ICaL,0,0.1 -ranolazine,6900,nM,ICaL,0,0.1 -ranolazine,6900,nM,ICaL,0,0.1 -ranolazine,23000,nM,ICaL,6.8,0.1 -ranolazine,23000,nM,ICaL,0.6,0.1 -ranolazine,23000,nM,ICaL,0,0.1 -ranolazine,575,nM,IK1,0,0.1 -ranolazine,575,nM,IK1,0.4,0.1 -ranolazine,575,nM,IK1,1.2,0.1 -ranolazine,2300,nM,IK1,0,0.1 -ranolazine,2300,nM,IK1,3,0.1 -ranolazine,2300,nM,IK1,0,0.1 -ranolazine,6900,nM,IK1,0,0.1 -ranolazine,6900,nM,IK1,6.2,0.1 -ranolazine,6900,nM,IK1,0,0.1 -ranolazine,23000,nM,IK1,0,0.1 -ranolazine,23000,nM,IK1,0.8,0.1 -ranolazine,23000,nM,IK1,0,0.1 -ranolazine,575,nM,IKs,0.7,0.1 -ranolazine,575,nM,IKs,0,0.1 -ranolazine,575,nM,IKs,0,0.1 -ranolazine,2300,nM,IKs,1,0.1 -ranolazine,2300,nM,IKs,0,0.1 -ranolazine,2300,nM,IKs,0.8,0.1 -ranolazine,6900,nM,IKs,3,0.1 -ranolazine,6900,nM,IKs,0,0.1 -ranolazine,6900,nM,IKs,0.9,0.1 -ranolazine,23000,nM,IKs,2.5,0.1 -ranolazine,23000,nM,IKs,0,0.1 -ranolazine,23000,nM,IKs,3.8,0.1 -ranolazine,575,nM,Ito,NA,0.1 -ranolazine,575,nM,Ito,NA,0.1 -ranolazine,575,nM,Ito,NA,0.1 -ranolazine,2300,nM,Ito,1.2,0.1 -ranolazine,2300,nM,Ito,9,0.1 -ranolazine,2300,nM,Ito,8,0.1 -ranolazine,6900,nM,Ito,15.7,0.1 -ranolazine,6900,nM,Ito,5.2,0.1 -ranolazine,6900,nM,Ito,6.9,0.1 -ranolazine,23000,nM,Ito,9.3,0.1 -ranolazine,23000,nM,Ito,11.4,0.1 -ranolazine,23000,nM,Ito,13.7,0.1 -ranolazine,69000,nM,Ito,25.2,0.1 -ranolazine,69000,nM,Ito,28.8,0.1 -ranolazine,69000,nM,Ito,25.4,0.1 -ranolazine,575,nM,INaL,6,0.1 -ranolazine,575,nM,INaL,7.1,0.1 -ranolazine,575,nM,INaL,4.5,0.1 -ranolazine,2300,nM,INaL,18.8,0.1 -ranolazine,2300,nM,INaL,23.9,0.1 -ranolazine,2300,nM,INaL,30.1,0.1 -ranolazine,6900,nM,INaL,36.5,0.1 -ranolazine,6900,nM,INaL,58.4,0.1 -ranolazine,6900,nM,INaL,48.7,0.1 -ranolazine,23000,nM,INaL,58.9,0.1 -ranolazine,23000,nM,INaL,79.7,0.1 -ranolazine,23000,nM,INaL,78.3,0.1 -ranolazine,575,nM,INa,0,0.1 -ranolazine,575,nM,INa,0,0.1 -ranolazine,575,nM,INa,1.2,0.1 -ranolazine,2300,nM,INa,0,0.1 -ranolazine,2300,nM,INa,0,0.1 -ranolazine,2300,nM,INa,2.9,0.1 -ranolazine,6900,nM,INa,0,0.1 -ranolazine,6900,nM,INa,4.4,0.1 -ranolazine,6900,nM,INa,6.2,0.1 -ranolazine,23000,nM,INa,13.2,0.1 -ranolazine,23000,nM,INa,10,0.1 -ranolazine,23000,nM,INa,28.9,0.1 -ritonavir,400,nM,ICaL,0.6,0.1 -ritonavir,400,nM,ICaL,0,0.1 -ritonavir,400,nM,ICaL,2.4,0.1 -ritonavir,1200,nM,ICaL,14.2,0.1 -ritonavir,1200,nM,ICaL,9.6,0.1 -ritonavir,1200,nM,ICaL,12.9,0.1 -ritonavir,4000,nM,ICaL,25.1,0.1 -ritonavir,4000,nM,ICaL,21.4,0.1 -ritonavir,4000,nM,ICaL,32.8,0.1 -ritonavir,20000,nM,ICaL,69.9,0.1 -ritonavir,20000,nM,ICaL,76.3,0.1 -ritonavir,20000,nM,ICaL,83,0.1 -ritonavir,400,nM,IK1,9.9,0.1 -ritonavir,400,nM,IK1,0,0.1 -ritonavir,400,nM,IK1,1.5,0.1 -ritonavir,1200,nM,IK1,0,0.1 -ritonavir,1200,nM,IK1,27.3,0.1 -ritonavir,1200,nM,IK1,0,0.1 -ritonavir,4000,nM,IK1,0,0.1 -ritonavir,4000,nM,IK1,13,0.1 -ritonavir,4000,nM,IK1,0,0.1 -ritonavir,20000,nM,IK1,0,0.1 -ritonavir,20000,nM,IK1,0,0.1 -ritonavir,20000,nM,IK1,0,0.1 -ritonavir,400,nM,IKs,6.1,0.1 -ritonavir,400,nM,IKs,0,0.1 -ritonavir,400,nM,IKs,0,0.1 -ritonavir,400,nM,IKs,6.7,0.1 -ritonavir,400,nM,IKs,0,0.1 -ritonavir,1200,nM,IKs,10,0.1 -ritonavir,1200,nM,IKs,1.2,0.1 -ritonavir,1200,nM,IKs,0,0.1 -ritonavir,1200,nM,IKs,0,0.1 -ritonavir,4000,nM,IKs,18.7,0.1 -ritonavir,4000,nM,IKs,0,0.1 -ritonavir,4000,nM,IKs,0,0.1 -ritonavir,20000,nM,IKs,24.5,0.1 -ritonavir,20000,nM,IKs,24.1,0.1 -ritonavir,20000,nM,IKs,5.8,0.1 -ritonavir,400,nM,Ito,0,0.1 -ritonavir,400,nM,Ito,3.2,0.1 -ritonavir,400,nM,Ito,0.8,0.1 -ritonavir,1200,nM,Ito,15,0.1 -ritonavir,1200,nM,Ito,8.1,0.1 -ritonavir,1200,nM,Ito,6.6,0.1 -ritonavir,4000,nM,Ito,1.1,0.1 -ritonavir,4000,nM,Ito,13.9,0.1 -ritonavir,4000,nM,Ito,7.2,0.1 -ritonavir,20000,nM,Ito,20.2,0.1 -ritonavir,20000,nM,Ito,19.7,0.1 -ritonavir,20000,nM,Ito,17.6,0.1 -ritonavir,400,nM,INaL,0,0.1 -ritonavir,400,nM,INaL,3.8,0.1 -ritonavir,400,nM,INaL,1.5,0.1 -ritonavir,1200,nM,INaL,20.7,0.1 -ritonavir,1200,nM,INaL,25.6,0.1 -ritonavir,1200,nM,INaL,31.1,0.1 -ritonavir,4000,nM,INaL,44.9,0.1 -ritonavir,4000,nM,INaL,55.5,0.1 -ritonavir,4000,nM,INaL,44,0.1 -ritonavir,20000,nM,INaL,45.5,0.1 -ritonavir,20000,nM,INaL,63.5,0.1 -ritonavir,20000,nM,INaL,58.7,0.1 -ritonavir,20000,nM,INaL,82.1,0.1 -ritonavir,400,nM,INa,2.3,0.1 -ritonavir,400,nM,INa,0,0.1 -ritonavir,400,nM,INa,0,0.1 -ritonavir,1200,nM,INa,16.8,0.1 -ritonavir,1200,nM,INa,16.1,0.1 -ritonavir,1200,nM,INa,12.9,0.1 -ritonavir,4000,nM,INa,24.4,0.1 -ritonavir,4000,nM,INa,28.2,0.1 -ritonavir,4000,nM,INa,26.2,0.1 -ritonavir,4000,nM,INa,31.8,0.1 -ritonavir,4000,nM,INa,35.5,0.1 -ritonavir,20000,nM,INa,41.4,0.1 -ritonavir,20000,nM,INa,30,0.1 -ritonavir,20000,nM,INa,47.2,0.1 -ritonavir,20000,nM,INa,48.2,0.1 -rufinamide,80000,nM,ICaL,24.9,0.1 -rufinamide,80000,nM,ICaL,27.3,0.1 -rufinamide,80000,nM,ICaL,21.7,0.1 -rufinamide,240000,nM,ICaL,51.1,0.1 -rufinamide,240000,nM,ICaL,47.1,0.1 -rufinamide,240000,nM,ICaL,45,0.1 -rufinamide,80000,nM,IK1,0,0.1 -rufinamide,80000,nM,IK1,0,0.1 -rufinamide,80000,nM,IK1,0,0.1 -rufinamide,240000,nM,IK1,0,0.1 -rufinamide,240000,nM,IK1,0,0.1 -rufinamide,240000,nM,IK1,0,0.1 -rufinamide,80000,nM,IKs,0.4,0.1 -rufinamide,80000,nM,IKs,0.2,0.1 -rufinamide,80000,nM,IKs,1.7,0.1 -rufinamide,240000,nM,IKs,1.3,0.1 -rufinamide,240000,nM,IKs,0,0.1 -rufinamide,240000,nM,IKs,0,0.1 -rufinamide,240000,nM,IKs,4.8,0.1 -rufinamide,80000,nM,Ito,0,0.1 -rufinamide,80000,nM,Ito,0,0.1 -rufinamide,80000,nM,Ito,0.2,0.1 -rufinamide,240000,nM,Ito,0,0.1 -rufinamide,240000,nM,Ito,1.3,0.1 -rufinamide,240000,nM,Ito,3.5,0.1 -rufinamide,80000,nM,INaL,0,0.1 -rufinamide,80000,nM,INaL,8.2,0.1 -rufinamide,80000,nM,INaL,0,0.1 -rufinamide,240000,nM,INaL,13.2,0.1 -rufinamide,240000,nM,INaL,10.2,0.1 -rufinamide,240000,nM,INaL,10.4,0.1 -rufinamide,80000,nM,INa,0.9,0.1 -rufinamide,80000,nM,INa,0,0.1 -rufinamide,80000,nM,INa,0,0.1 -rufinamide,240000,nM,INa,2,0.1 -rufinamide,240000,nM,INa,1.8,0.1 -rufinamide,240000,nM,INa,13.4,0.1 -saquinavir,400,nM,Ito,0,0.1 -saquinavir,400,nM,Ito,2,0.1 -saquinavir,400,nM,Ito,0,0.1 -saquinavir,1200,nM,Ito,0,0.1 -saquinavir,1200,nM,Ito,0.4,0.1 -saquinavir,1200,nM,Ito,10.7,0.1 -saquinavir,4000,nM,Ito,0,0.1 -saquinavir,4000,nM,Ito,0,0.1 -saquinavir,4000,nM,Ito,0.07,0.1 -saquinavir,20000,nM,Ito,0,0.1 -saquinavir,20000,nM,Ito,0,0.1 -saquinavir,20000,nM,Ito,8.3,0.1 -saquinavir,20000,nM,Ito,0,0.1 -saquinavir,20000,nM,Ito,4.2,0.1 -saquinavir,400,nM,INaL,0.7,0.1 -saquinavir,400,nM,INaL,4.2,0.1 -saquinavir,400,nM,INaL,2.3,0.1 -saquinavir,1200,nM,INaL,4.3,0.1 -saquinavir,1200,nM,INaL,0,0.1 -saquinavir,1200,nM,INaL,0,0.1 -saquinavir,4000,nM,INaL,44.2,0.1 -saquinavir,4000,nM,INaL,36.7,0.1 -saquinavir,4000,nM,INaL,39.7,0.1 -saquinavir,20000,nM,INaL,78.1,0.1 -saquinavir,20000,nM,INaL,64.1,0.1 -saquinavir,20000,nM,INaL,79.8,0.1 -saquinavir,400,nM,ICaL,6.9,0.1 -saquinavir,400,nM,ICaL,0,0.1 -saquinavir,400,nM,ICaL,6.7,0.1 -saquinavir,1200,nM,ICaL,13.5,0.1 -saquinavir,1200,nM,ICaL,14.1,0.1 -saquinavir,1200,nM,ICaL,24.9,0.1 -saquinavir,4000,nM,ICaL,68.9,0.1 -saquinavir,4000,nM,ICaL,50.7,0.1 -saquinavir,4000,nM,ICaL,65.4,0.1 -saquinavir,20000,nM,ICaL,90.8,0.1 -saquinavir,20000,nM,ICaL,87.4,0.1 -saquinavir,20000,nM,ICaL,84.2,0.1 -saquinavir,400,nM,IK1,0,0.1 -saquinavir,400,nM,IK1,0,0.1 -saquinavir,400,nM,IK1,0,0.1 -saquinavir,1200,nM,IK1,0,0.1 -saquinavir,1200,nM,IK1,0,0.1 -saquinavir,1200,nM,IK1,0,0.1 -saquinavir,4000,nM,IK1,1.6,0.1 -saquinavir,4000,nM,IK1,0,0.1 -saquinavir,4000,nM,IK1,0.5,0.1 -saquinavir,20000,nM,IK1,5.1,0.1 -saquinavir,20000,nM,IK1,0,0.1 -saquinavir,20000,nM,IK1,4.3,0.1 -saquinavir,400,nM,IKs,0,0.1 -saquinavir,400,nM,IKs,2.6,0.1 -saquinavir,400,nM,IKs,0,0.1 -saquinavir,1200,nM,IKs,0,0.1 -saquinavir,1200,nM,IKs,2.7,0.1 -saquinavir,1200,nM,IKs,0,0.1 -saquinavir,4000,nM,IKs,0,0.1 -saquinavir,4000,nM,IKs,1.8,0.1 -saquinavir,4000,nM,IKs,0,0.1 -saquinavir,20000,nM,IKs,12.2,0.1 -saquinavir,20000,nM,IKs,22.4,0.1 -saquinavir,20000,nM,IKs,11.8,0.1 -saquinavir,400,nM,INa,1.1,0.1 -saquinavir,400,nM,INa,0,0.1 -saquinavir,400,nM,INa,2.6,0.1 -saquinavir,1200,nM,INa,2,0.1 -saquinavir,1200,nM,INa,1.5,0.1 -saquinavir,1200,nM,INa,4.2,0.1 -saquinavir,4000,nM,INa,12.1,0.1 -saquinavir,4000,nM,INa,26.3,0.1 -saquinavir,4000,nM,INa,12,0.1 -saquinavir,20000,nM,INa,44.4,0.1 -saquinavir,20000,nM,INa,84.1,0.1 -saquinavir,20000,nM,INa,43.7,0.1 -sertindole,1.5,nM,Ito,0,0.1 -sertindole,1.5,nM,Ito,2.1,0.1 -sertindole,1.5,nM,Ito,2,0.1 -sertindole,4.5,nM,Ito,0,0.1 -sertindole,4.5,nM,Ito,0,0.1 -sertindole,4.5,nM,Ito,2.9,0.1 -sertindole,15,nM,Ito,0,0.1 -sertindole,15,nM,Ito,2,0.1 -sertindole,15,nM,Ito,1.4,0.1 -sertindole,75,nM,Ito,0,0.1 -sertindole,75,nM,Ito,3.7,0.1 -sertindole,75,nM,Ito,2.1,0.1 -sertindole,1.5,nM,INaL,5.4,0.1 -sertindole,1.5,nM,INaL,0,0.1 -sertindole,1.5,nM,INaL,0,0.1 -sertindole,4.5,nM,INaL,0,0.1 -sertindole,4.5,nM,INaL,0,0.1 -sertindole,4.5,nM,INaL,0,0.1 -sertindole,15,nM,INaL,0,0.1 -sertindole,15,nM,INaL,0,0.1 -sertindole,15,nM,INaL,0,0.1 -sertindole,75,nM,INaL,0,0.1 -sertindole,75,nM,INaL,0,0.1 -sertindole,75,nM,INaL,0,0.1 -sertindole,1.5,nM,ICaL,1.3,0.1 -sertindole,1.5,nM,ICaL,0.3,0.1 -sertindole,1.5,nM,ICaL,0,0.1 -sertindole,4.5,nM,ICaL,2,0.1 -sertindole,4.5,nM,ICaL,2.5,0.1 -sertindole,4.5,nM,ICaL,0,0.1 -sertindole,15,nM,ICaL,3.5,0.1 -sertindole,15,nM,ICaL,4.4,0.1 -sertindole,15,nM,ICaL,4.4,0.1 -sertindole,75,nM,ICaL,5.3,0.1 -sertindole,75,nM,ICaL,8.2,0.1 -sertindole,75,nM,ICaL,6.1,0.1 -sertindole,1.5,nM,IK1,0,0.1 -sertindole,1.5,nM,IK1,0,0.1 -sertindole,1.5,nM,IK1,0.3,0.1 -sertindole,4.5,nM,IK1,0,0.1 -sertindole,4.5,nM,IK1,0,0.1 -sertindole,4.5,nM,IK1,0,0.1 -sertindole,15,nM,IK1,0,0.1 -sertindole,15,nM,IK1,0,0.1 -sertindole,15,nM,IK1,0,0.1 -sertindole,75,nM,IK1,0,0.1 -sertindole,75,nM,IK1,0,0.1 -sertindole,75,nM,IK1,0,0.1 -sertindole,1.5,nM,IKs,0,0.1 -sertindole,1.5,nM,IKs,0,0.1 -sertindole,1.5,nM,IKs,0,0.1 -sertindole,4.5,nM,IKs,1.2,0.1 -sertindole,4.5,nM,IKs,0,0.1 -sertindole,4.5,nM,IKs,0.8,0.1 -sertindole,15,nM,IKs,0.3,0.1 -sertindole,15,nM,IKs,0,0.1 -sertindole,15,nM,IKs,3.3,0.1 -sertindole,75,nM,IKs,0.9,0.1 -sertindole,75,nM,IKs,0,0.1 -sertindole,75,nM,IKs,3.7,0.1 -sertindole,1.5,nM,INa,0.4,0.1 -sertindole,1.5,nM,INa,0,0.1 -sertindole,1.5,nM,INa,0,0.1 -sertindole,4.5,nM,INa,0,0.1 -sertindole,4.5,nM,INa,0,0.1 -sertindole,4.5,nM,INa,0,0.1 -sertindole,15,nM,INa,0,0.1 -sertindole,15,nM,INa,0,0.1 -sertindole,15,nM,INa,0.4,0.1 -sertindole,75,nM,INa,1,0.1 -sertindole,75,nM,INa,0,0.1 -sertindole,75,nM,INa,0,0.1 -sotalol,14000,nM,Ito,0.6,0.1 -sotalol,14000,nM,Ito,0,0.1 -sotalol,14000,nM,Ito,0,0.1 -sotalol,140000,nM,Ito,0.3,0.1 -sotalol,140000,nM,Ito,0,0.1 -sotalol,140000,nM,Ito,0.1,0.1 -sotalol,7e+05,nM,Ito,16.1,0.1 -sotalol,7e+05,nM,Ito,7.7,0.1 -sotalol,7e+05,nM,Ito,0.5,0.1 -sotalol,2100000,nM,Ito,15.9,0.1 -sotalol,2100000,nM,Ito,8.7,0.1 -sotalol,2100000,nM,Ito,11,0.1 -sotalol,2100000,nM,Ito,9.9,0.1 -sotalol,14000,nM,INaL,0,0.1 -sotalol,14000,nM,INaL,0,0.1 -sotalol,14000,nM,INaL,3.7,0.1 -sotalol,140000,nM,INaL,0,0.1 -sotalol,140000,nM,INaL,0,0.1 -sotalol,140000,nM,INaL,0,0.1 -sotalol,7e+05,nM,INaL,0,0.1 -sotalol,7e+05,nM,INaL,0,0.1 -sotalol,7e+05,nM,INaL,0,0.1 -sotalol,2100000,nM,INaL,11.8,0.1 -sotalol,2100000,nM,INaL,8.5,0.1 -sotalol,2100000,nM,INaL,12.6,0.1 -sotalol,14000,nM,ICaL,3.6,0.1 -sotalol,14000,nM,ICaL,0,0.1 -sotalol,14000,nM,ICaL,2.4,0.1 -sotalol,140000,nM,ICaL,4.8,0.1 -sotalol,140000,nM,ICaL,0,0.1 -sotalol,140000,nM,ICaL,4.1,0.1 -sotalol,7e+05,nM,ICaL,13.5,0.1 -sotalol,7e+05,nM,ICaL,8.6,0.1 -sotalol,7e+05,nM,ICaL,13.4,0.1 -sotalol,2100000,nM,ICaL,32.1,0.1 -sotalol,2100000,nM,ICaL,19.3,0.1 -sotalol,2100000,nM,ICaL,26.6,0.1 -sotalol,14000,nM,IK1,0,0.1 -sotalol,14000,nM,IK1,0,0.1 -sotalol,14000,nM,IK1,0,0.1 -sotalol,140000,nM,IK1,0,0.1 -sotalol,140000,nM,IK1,0,0.1 -sotalol,140000,nM,IK1,0,0.1 -sotalol,7e+05,nM,IK1,15.6,0.1 -sotalol,7e+05,nM,IK1,21.6,0.1 -sotalol,7e+05,nM,IK1,9.7,0.1 -sotalol,2100000,nM,IK1,38.6,0.1 -sotalol,2100000,nM,IK1,45.2,0.1 -sotalol,2100000,nM,IK1,32,0.1 -sotalol,14000,nM,IKs,0,0.1 -sotalol,14000,nM,IKs,0.9,0.1 -sotalol,14000,nM,IKs,0,0.1 -sotalol,140000,nM,IKs,0.4,0.1 -sotalol,140000,nM,IKs,2.3,0.1 -sotalol,140000,nM,IKs,0,0.1 -sotalol,7e+05,nM,IKs,17.6,0.1 -sotalol,7e+05,nM,IKs,5.5,0.1 -sotalol,7e+05,nM,IKs,6.1,0.1 -sotalol,7e+05,nM,IKs,15.8,0.1 -sotalol,2100000,nM,IKs,33.1,0.1 -sotalol,2100000,nM,IKs,22.2,0.1 -sotalol,2100000,nM,IKs,36.4,0.1 -sotalol,14000,nM,INa,0,0.1 -sotalol,14000,nM,INa,1.4,0.1 -sotalol,14000,nM,INa,0.3,0.1 -sotalol,140000,nM,INa,0,0.1 -sotalol,140000,nM,INa,1.8,0.1 -sotalol,140000,nM,INa,0.7,0.1 -sotalol,7e+05,nM,INa,0,0.1 -sotalol,7e+05,nM,INa,2.6,0.1 -sotalol,7e+05,nM,INa,4.3,0.1 -sotalol,2100000,nM,INa,0,0.1 -sotalol,2100000,nM,INa,3.9,0.1 -sotalol,2100000,nM,INa,7.8,0.1 -terfenadine,0.8,nM,Ito,0,0.1 -terfenadine,0.8,nM,Ito,5.3,0.1 -terfenadine,0.8,nM,Ito,8.9,0.1 -terfenadine,8,nM,Ito,10.3,0.1 -terfenadine,8,nM,Ito,10.1,0.1 -terfenadine,8,nM,Ito,9,0.1 -terfenadine,80,nM,Ito,4.3,0.1 -terfenadine,80,nM,Ito,9.1,0.1 -terfenadine,80,nM,Ito,6.3,0.1 -terfenadine,800,nM,Ito,28.5,0.1 -terfenadine,800,nM,Ito,22.1,0.1 -terfenadine,800,nM,Ito,11.1,0.1 -terfenadine,0.8,nM,INaL,0,0.1 -terfenadine,0.8,nM,INaL,2.5,0.1 -terfenadine,0.8,nM,INaL,2.2,0.1 -terfenadine,8,nM,INaL,3.6,0.1 -terfenadine,8,nM,INaL,0.7,0.1 -terfenadine,8,nM,INaL,0,0.1 -terfenadine,80,nM,INaL,1,0.1 -terfenadine,80,nM,INaL,7.8,0.1 -terfenadine,80,nM,INaL,0,0.1 -terfenadine,800,nM,INaL,11.5,0.1 -terfenadine,800,nM,INaL,14.9,0.1 -terfenadine,800,nM,INaL,11.7,0.1 -terfenadine,0.8,nM,ICaL,0.8,0.1 -terfenadine,0.8,nM,ICaL,1.4,0.1 -terfenadine,0.8,nM,ICaL,0,0.1 -terfenadine,8,nM,ICaL,4.5,0.1 -terfenadine,8,nM,ICaL,2.7,0.1 -terfenadine,8,nM,ICaL,5.2,0.1 -terfenadine,80,nM,ICaL,24,0.1 -terfenadine,80,nM,ICaL,15.5,0.1 -terfenadine,80,nM,ICaL,20.1,0.1 -terfenadine,800,nM,ICaL,49.7,0.1 -terfenadine,800,nM,ICaL,53.1,0.1 -terfenadine,800,nM,ICaL,53.2,0.1 -terfenadine,0.8,nM,IK1,8.2,0.1 -terfenadine,0.8,nM,IK1,3.9,0.1 -terfenadine,0.8,nM,IK1,0,0.1 -terfenadine,8,nM,IK1,0,0.1 -terfenadine,8,nM,IK1,0,0.1 -terfenadine,8,nM,IK1,0,0.1 -terfenadine,80,nM,IK1,0,0.1 -terfenadine,80,nM,IK1,8.6,0.1 -terfenadine,80,nM,IK1,0,0.1 -terfenadine,800,nM,IK1,0,0.1 -terfenadine,800,nM,IK1,0,0.1 -terfenadine,800,nM,IK1,0,0.1 -terfenadine,0.8,nM,IKs,0,0.1 -terfenadine,0.8,nM,IKs,0.05,0.1 -terfenadine,0.8,nM,IKs,0,0.1 -terfenadine,8,nM,IKs,0.6,0.1 -terfenadine,8,nM,IKs,0,0.1 -terfenadine,8,nM,IKs,0,0.1 -terfenadine,80,nM,IKs,0.5,0.1 -terfenadine,80,nM,IKs,2.6,0.1 -terfenadine,80,nM,IKs,0,0.1 -terfenadine,800,nM,IKs,0,0.1 -terfenadine,800,nM,IKs,4,0.1 -terfenadine,800,nM,IKs,5.9,0.1 -terfenadine,0.8,nM,INa,0.1,0.1 -terfenadine,0.8,nM,INa,0,0.1 -terfenadine,0.8,nM,INa,0.5,0.1 -terfenadine,8,nM,INa,0,0.1 -terfenadine,8,nM,INa,0,0.1 -terfenadine,8,nM,INa,0,0.1 -terfenadine,80,nM,INa,0,0.1 -terfenadine,80,nM,INa,0,0.1 -terfenadine,80,nM,INa,4.7,0.1 -terfenadine,800,nM,INa,16.8,0.1 -terfenadine,800,nM,INa,21.6,0.1 -terfenadine,800,nM,INa,5.1,0.1 -terfenadine,800,nM,INa,12.3,0.1 -toremifene,25,nM,Ito,1.7,0.1 -toremifene,25,nM,Ito,0.5,0.1 -toremifene,25,nM,Ito,0.5,0.1 -toremifene,75,nM,Ito,1.7,0.1 -toremifene,75,nM,Ito,0.2,0.1 -toremifene,75,nM,Ito,0.03,0.1 -toremifene,250,nM,Ito,1.9,0.1 -toremifene,250,nM,Ito,1.4,0.1 -toremifene,250,nM,Ito,0.6,0.1 -toremifene,1250,nM,Ito,2.1,0.1 -toremifene,1250,nM,Ito,0,0.1 -toremifene,1250,nM,Ito,12.2,0.1 -toremifene,1250,nM,Ito,0,0.1 -toremifene,25,nM,INaL,0,0.1 -toremifene,25,nM,INaL,4.8,0.1 -toremifene,25,nM,INaL,0,0.1 -toremifene,25,nM,INaL,0,0.1 -toremifene,75,nM,INaL,2.3,0.1 -toremifene,75,nM,INaL,0,0.1 -toremifene,75,nM,INaL,0,0.1 -toremifene,250,nM,INaL,0.4,0.1 -toremifene,250,nM,INaL,0,0.1 -toremifene,250,nM,INaL,0,0.1 -toremifene,1250,nM,INaL,17,0.1 -toremifene,1250,nM,INaL,31.4,0.1 -toremifene,1250,nM,INaL,0.7,0.1 -toremifene,25,nM,ICaL,0,0.1 -toremifene,25,nM,ICaL,0.09,0.1 -toremifene,25,nM,ICaL,4.1,0.1 -toremifene,75,nM,ICaL,3.4,0.1 -toremifene,75,nM,ICaL,0,0.1 -toremifene,75,nM,ICaL,0,0.1 -toremifene,250,nM,ICaL,0.8,0.1 -toremifene,250,nM,ICaL,0,0.1 -toremifene,250,nM,ICaL,2.3,0.1 -toremifene,1250,nM,ICaL,2.4,0.1 -toremifene,1250,nM,ICaL,0,0.1 -toremifene,1250,nM,ICaL,3.5,0.1 -toremifene,1250,nM,ICaL,3.7,0.1 -toremifene,1250,nM,ICaL,11.8,0.1 -toremifene,25,nM,IK1,0,0.1 -toremifene,25,nM,IK1,0,0.1 -toremifene,25,nM,IK1,0,0.1 -toremifene,75,nM,IK1,0,0.1 -toremifene,75,nM,IK1,0,0.1 -toremifene,75,nM,IK1,0,0.1 -toremifene,250,nM,IK1,0,0.1 -toremifene,250,nM,IK1,0,0.1 -toremifene,250,nM,IK1,0,0.1 -toremifene,1250,nM,IK1,0,0.1 -toremifene,1250,nM,IK1,0,0.1 -toremifene,1250,nM,IK1,0,0.1 -toremifene,25,nM,IKs,0,0.1 -toremifene,25,nM,IKs,2.1,0.1 -toremifene,25,nM,IKs,0,0.1 -toremifene,75,nM,IKs,0,0.1 -toremifene,75,nM,IKs,0.05,0.1 -toremifene,75,nM,IKs,0,0.1 -toremifene,250,nM,IKs,0,0.1 -toremifene,250,nM,IKs,0,0.1 -toremifene,250,nM,IKs,0,0.1 -toremifene,1250,nM,IKs,0,0.1 -toremifene,1250,nM,IKs,0,0.1 -toremifene,1250,nM,IKs,0,0.1 -toremifene,25,nM,INa,0.1,0.1 -toremifene,25,nM,INa,0,0.1 -toremifene,25,nM,INa,0,0.1 -toremifene,75,nM,INa,0,0.1 -toremifene,75,nM,INa,0,0.1 -toremifene,75,nM,INa,0,0.1 -toremifene,250,nM,INa,0.6,0.1 -toremifene,250,nM,INa,0,0.1 -toremifene,250,nM,INa,0,0.1 -toremifene,1250,nM,INa,11.2,0.1 -toremifene,1250,nM,INa,2.8,0.1 -toremifene,1250,nM,INa,5.1,0.1 -verapamil,50,nM,Ito,0.9,0.1 -verapamil,50,nM,Ito,0,0.1 -verapamil,50,nM,Ito,0,0.1 -verapamil,150,nM,Ito,0.9,0.1 -verapamil,150,nM,Ito,3.2,0.1 -verapamil,150,nM,Ito,0,0.1 -verapamil,500,nM,Ito,8.4,0.1 -verapamil,500,nM,Ito,12.2,0.1 -verapamil,500,nM,Ito,3.2,0.1 -verapamil,1000,nM,Ito,5.8,0.1 -verapamil,1000,nM,Ito,15.6,0.1 -verapamil,1000,nM,Ito,8.2,0.1 -verapamil,50,nM,INaL,0,0.1 -verapamil,50,nM,INaL,6.7,0.1 -verapamil,50,nM,INaL,0,0.1 -verapamil,150,nM,INaL,0,0.1 -verapamil,150,nM,INaL,4.1,0.1 -verapamil,150,nM,INaL,0,0.1 -verapamil,500,nM,INaL,0,0.1 -verapamil,500,nM,INaL,13.4,0.1 -verapamil,500,nM,INaL,4.1,0.1 -verapamil,1000,nM,INaL,0,0.1 -verapamil,1000,nM,INaL,29.6,0.1 -verapamil,1000,nM,INaL,6.3,0.1 -verapamil,5,nM,ICaL,6.5,0.1 -verapamil,5,nM,ICaL,4.3,0.1 -verapamil,5,nM,ICaL,1.1,0.1 -verapamil,50,nM,ICaL,22.6,0.1 -verapamil,50,nM,ICaL,20.9,0.1 -verapamil,50,nM,ICaL,19.4,0.1 -verapamil,150,nM,ICaL,50.5,0.1 -verapamil,150,nM,ICaL,28.9,0.1 -verapamil,150,nM,ICaL,40.1,0.1 -verapamil,150,nM,ICaL,35.9,0.1 -verapamil,500,nM,ICaL,89.8,0.1 -verapamil,500,nM,ICaL,67.2,0.1 -verapamil,500,nM,ICaL,68.9,0.1 -verapamil,1000,nM,ICaL,99.6,0.1 -verapamil,1000,nM,ICaL,77.7,0.1 -verapamil,1000,nM,ICaL,79.7,0.1 -verapamil,50,nM,IK1,0,0.1 -verapamil,50,nM,IK1,2.9,0.1 -verapamil,50,nM,IK1,0,0.1 -verapamil,150,nM,IK1,0,0.1 -verapamil,150,nM,IK1,9.1,0.1 -verapamil,150,nM,IK1,2.2,0.1 -verapamil,150,nM,IK1,0,0.1 -verapamil,500,nM,IK1,0,0.1 -verapamil,500,nM,IK1,1.9,0.1 -verapamil,500,nM,IK1,0,0.1 -verapamil,1000,nM,IK1,0,0.1 -verapamil,1000,nM,IK1,10.6,0.1 -verapamil,1000,nM,IK1,1,0.1 -verapamil,5,nM,IKs,0,0.1 -verapamil,5,nM,IKs,0,0.1 -verapamil,5,nM,IKs,2.7,0.1 -verapamil,50,nM,IKs,0,0.1 -verapamil,50,nM,IKs,3.4,0.1 -verapamil,50,nM,IKs,4.7,0.1 -verapamil,150,nM,IKs,0,0.1 -verapamil,150,nM,IKs,1.6,0.1 -verapamil,150,nM,IKs,8.2,0.1 -verapamil,500,nM,IKs,0,0.1 -verapamil,500,nM,IKs,1.8,0.1 -verapamil,500,nM,IKs,5.4,0.1 -verapamil,50,nM,INa,0.8,0.1 -verapamil,50,nM,INa,0,0.1 -verapamil,50,nM,INa,0,0.1 -verapamil,150,nM,INa,0.3,0.1 -verapamil,150,nM,INa,0.6,0.1 -verapamil,150,nM,INa,0,0.1 -verapamil,500,nM,INa,0.8,0.1 -verapamil,500,nM,INa,0,0.1 -verapamil,500,nM,INa,0,0.1 -verapamil,1000,nM,INa,1.2,0.1 -verapamil,1000,nM,INa,0.2,0.1 -verapamil,1000,nM,INa,0,0.1 -dofetilide,10,nM,hERG,68.4832764780687,NA -dofetilide,10,nM,hERG,71.1625134940626,NA -dofetilide,10,nM,hERG,76.7049504782201,NA -dofetilide,10,nM,hERG,62.695809565599,NA -dofetilide,10,nM,hERG,51.967919203921,NA -dofetilide,1,nM,hERG,22.9570548664528,NA -dofetilide,1,nM,hERG,4.2081951795824,NA -dofetilide,1,nM,hERG,10.965396257235,NA -dofetilide,1,nM,hERG,18.2862503938426,NA -dofetilide,1,nM,hERG,17.4523411289455,NA -dofetilide,1,nM,hERG,0.987460416144104,NA -dofetilide,1,nM,hERG,22.6008910043389,NA -dofetilide,1,nM,hERG,10.5811945812372,NA -dofetilide,1,nM,hERG,9.0385696615315,NA -dofetilide,1,nM,hERG,15.768290947937,NA -dofetilide,30,nM,hERG,71.2808349644884,NA -dofetilide,30,nM,hERG,83.7315525219508,NA -dofetilide,30,nM,hERG,86.2830667711856,NA -dofetilide,30,nM,hERG,83.753156309814,NA -dofetilide,30,nM,hERG,86.7317362102702,NA -dofetilide,3,nM,hERG,31.4394958009168,NA -dofetilide,3,nM,hERG,30.678432474814,NA -dofetilide,3,nM,hERG,34.0732033837768,NA -dofetilide,3,nM,hERG,24.9917467755506,NA -dofetilide,3,nM,hERG,23.3898956752733,NA -dofetilide,3,nM,hERG,30.2572169459313,NA -cisapride,100,nM,hERG,82.9062900065779,NA -cisapride,100,nM,hERG,73.6223799148234,NA -cisapride,100,nM,hERG,59.6851320827259,NA -cisapride,10,nM,hERG,61.3448428450211,NA -cisapride,10,nM,hERG,61.2147743805934,NA -cisapride,10,nM,hERG,46.1571390646432,NA -cisapride,10,nM,hERG,45.8777838157343,NA -cisapride,10,nM,hERG,52.1988501734183,NA -cisapride,10,nM,hERG,63.3462139626924,NA -cisapride,10,nM,hERG,62.4013960126785,NA -cisapride,1,nM,hERG,14.5653863849095,NA -cisapride,1,nM,hERG,15.7707740474712,NA -cisapride,1,nM,hERG,18.1051373351565,NA -cisapride,1,nM,hERG,9.5927000092268,NA -cisapride,1,nM,hERG,3.0491361072526,NA -cisapride,1,nM,hERG,1.233820126444,NA -cisapride,1,nM,hERG,14.0336659025109,NA -cisapride,300,nM,hERG,87.3452371882523,NA -cisapride,300,nM,hERG,77.2749643318582,NA -cisapride,300,nM,hERG,87.325686083444,NA -cisapride,300,nM,hERG,83.5493709959945,NA -cisapride,300,nM,hERG,80.7140720845404,NA -bepridil,100,nM,hERG,58.8063075420558,NA -bepridil,100,nM,hERG,55.9267963953642,NA -bepridil,100,nM,hERG,59.6115776586667,NA -bepridil,100,nM,hERG,65.6038211551361,NA -bepridil,100,nM,hERG,70.7783397303015,NA -bepridil,10,nM,hERG,30.7881382255679,NA -bepridil,10,nM,hERG,20.6479855847827,NA -bepridil,10,nM,hERG,-1.37863822879101,NA -bepridil,10,nM,hERG,14.6567299006323,NA -bepridil,10,nM,hERG,8.7008471804219,NA -bepridil,10,nM,hERG,19.1601298670521,NA -bepridil,300,nM,hERG,87.4381965072257,NA -bepridil,300,nM,hERG,86.8986866037481,NA -bepridil,300,nM,hERG,84.5465637161916,NA -bepridil,300,nM,hERG,80.9053287059412,NA -bepridil,30,nM,hERG,54.7128690896985,NA -bepridil,30,nM,hERG,47.0302973353764,NA -bepridil,30,nM,hERG,47.7775897040133,NA -bepridil,30,nM,hERG,30.5230489207687,NA -bepridil,30,nM,hERG,31.2983002521629,NA -bepridil,30,nM,hERG,35.8565663085918,NA -verapamil,1000,nM,hERG,69.1515684485932,NA -verapamil,1000,nM,hERG,75.5454014610463,NA -verapamil,1000,nM,hERG,75.323944260345,NA -verapamil,1000,nM,hERG,93.5766667758051,NA -verapamil,100,nM,hERG,19.2895662921879,NA -verapamil,100,nM,hERG,29.5389655722115,NA -verapamil,100,nM,hERG,31.2721004526078,NA -verapamil,100,nM,hERG,32.9502215946087,NA -verapamil,100,nM,hERG,29.3440164366705,NA -verapamil,300,nM,hERG,37.6947020546191,NA -verapamil,300,nM,hERG,54.6927476173293,NA -verapamil,300,nM,hERG,47.0727557317332,NA -verapamil,300,nM,hERG,53.0371836252054,NA -verapamil,300,nM,hERG,43.8183196596065,NA -verapamil,30,nM,hERG,17.352128585438,NA -verapamil,30,nM,hERG,4.9095175926587,NA -verapamil,30,nM,hERG,1.1802535139315,NA -verapamil,30,nM,hERG,28.2649477258646,NA -verapamil,30,nM,hERG,10.5237391563191,NA -verapamil,30,nM,hERG,1.689231301939,NA -terfenadine,100,nM,hERG,82.9030108189839,NA -terfenadine,100,nM,hERG,83.4380907729768,NA -terfenadine,100,nM,hERG,74.9584911376092,NA -terfenadine,100,nM,hERG,86.1809455282992,NA -terfenadine,100,nM,hERG,80.0022842937378,NA -terfenadine,100,nM,hERG,57.4461295363094,NA -terfenadine,10,nM,hERG,57.3103907171124,NA -terfenadine,10,nM,hERG,34.377535589606,NA -terfenadine,10,nM,hERG,39.7751847668163,NA -terfenadine,10,nM,hERG,31.0906041726406,NA -terfenadine,10,nM,hERG,40.9056746685927,NA -terfenadine,10,nM,hERG,45.2823930596296,NA -terfenadine,10,nM,hERG,43.9590623471422,NA -terfenadine,10,nM,hERG,43.8774503207285,NA -terfenadine,30,nM,hERG,61.5218875541747,NA -terfenadine,30,nM,hERG,59.7168990699912,NA -terfenadine,30,nM,hERG,35.7091058016153,NA -terfenadine,30,nM,hERG,34.8496448397916,NA -terfenadine,30,nM,hERG,44.3476191116337,NA -terfenadine,30,nM,hERG,49.202814741945,NA -terfenadine,30,nM,hERG,58.0651342598012,NA -terfenadine,3,nM,hERG,20.3990483193678,NA -terfenadine,3,nM,hERG,24.9827188631423,NA -terfenadine,3,nM,hERG,28.8398902888489,NA -terfenadine,3,nM,hERG,25.2488657557556,NA -terfenadine,3,nM,hERG,21.5961524627732,NA -ranolazine,1e+05,nM,hERG,86.3667611909984,NA -ranolazine,1e+05,nM,hERG,89.9136109423191,NA -ranolazine,1e+05,nM,hERG,84.5364135017363,NA -ranolazine,1e+05,nM,hERG,89.3369398697817,NA -ranolazine,1e+05,nM,hERG,92.4919563365207,NA -ranolazine,10000,nM,hERG,57.0232629883915,NA -ranolazine,10000,nM,hERG,56.754962715708,NA -ranolazine,10000,nM,hERG,56.119550536766,NA -ranolazine,10000,nM,hERG,51.6803667282506,NA -ranolazine,10000,nM,hERG,54.6960234794095,NA -ranolazine,10000,nM,hERG,55.9644916117944,NA -ranolazine,1000,nM,hERG,16.4639464013486,NA -ranolazine,1000,nM,hERG,16.4871931716682,NA -ranolazine,1000,nM,hERG,8.9427329977494,NA -ranolazine,1000,nM,hERG,13.9040569717806,NA -ranolazine,1000,nM,hERG,9.6434580145786,NA -ranolazine,1000,nM,hERG,18.1472407413489,NA -ranolazine,1000,nM,hERG,9.3470984792675,NA -ranolazine,30000,nM,hERG,77.4919464998065,NA -ranolazine,30000,nM,hERG,77.2814954866707,NA -ranolazine,30000,nM,hERG,70.7613349186781,NA -ranolazine,30000,nM,hERG,69.6682643442051,NA -ranolazine,30000,nM,hERG,78.1465676147183,NA -sotalol,1e+05,nM,hERG,58.4730775618668,NA -sotalol,1e+05,nM,hERG,49.9331262245572,NA -sotalol,1e+05,nM,hERG,34.045668199214,NA -sotalol,1e+05,nM,hERG,44.8790954809878,NA -sotalol,10000,nM,hERG,21.9216672125368,NA -sotalol,10000,nM,hERG,16.56485183919,NA -sotalol,10000,nM,hERG,11.9850550706838,NA -sotalol,10000,nM,hERG,15.0724404234565,NA -sotalol,10000,nM,hERG,15.7196938826358,NA -sotalol,10000,nM,hERG,14.0874025093252,NA -sotalol,10000,nM,hERG,13.7573152701698,NA -sotalol,10000,nM,hERG,6.6523311387052,NA -sotalol,3e+05,nM,hERG,62.4544610550556,NA -sotalol,3e+05,nM,hERG,78.9527264674465,NA -sotalol,3e+05,nM,hERG,72.3386557121083,NA -sotalol,3e+05,nM,hERG,69.5400339257258,NA -sotalol,30000,nM,hERG,20.3312190793515,NA -sotalol,30000,nM,hERG,33.3084715636478,NA -sotalol,30000,nM,hERG,27.6850439410334,NA -sotalol,30000,nM,hERG,27.3961699781972,NA -sotalol,30000,nM,hERG,35.3904841668386,NA -sotalol,30000,nM,hERG,14.6377992670368,NA -mexiletine,1e+05,nM,hERG,80.7332378423558,NA -mexiletine,1e+05,nM,hERG,82.096935900532,NA -mexiletine,1e+05,nM,hERG,82.6303424747057,NA -mexiletine,1e+05,nM,hERG,73.7125889131603,NA -mexiletine,1e+05,nM,hERG,68.7637787740525,NA -mexiletine,10000,nM,hERG,29.6838715315333,NA -mexiletine,10000,nM,hERG,24.7308011522625,NA -mexiletine,10000,nM,hERG,29.1629362182858,NA -mexiletine,10000,nM,hERG,20.2048361712053,NA -mexiletine,10000,nM,hERG,31.1440493310672,NA -mexiletine,3e+05,nM,hERG,85.3565117301764,NA -mexiletine,3e+05,nM,hERG,83.4340763303701,NA -mexiletine,3e+05,nM,hERG,81.5569570495005,NA -mexiletine,3e+05,nM,hERG,84.2436436568325,NA -mexiletine,3e+05,nM,hERG,85.8272510267117,NA -mexiletine,30000,nM,hERG,51.8292734901994,NA -mexiletine,30000,nM,hERG,55.3519097732111,NA -mexiletine,30000,nM,hERG,55.8725210027997,NA -mexiletine,30000,nM,hERG,43.9331406535927,NA -mexiletine,30000,nM,hERG,53.1303648902487,NA -mexiletine,3000,nM,hERG,15.0518455349501,NA -mexiletine,3000,nM,hERG,7.0623629073195,NA -mexiletine,3000,nM,hERG,18.253964068554,NA -mexiletine,3000,nM,hERG,5.2573229303111,NA -mexiletine,3000,nM,hERG,7.774580629362,NA -mexiletine,3000,nM,hERG,9.0391209422793,NA -quinidine,10000,nM,hERG,86.4899144556177,NA -quinidine,10000,nM,hERG,89.3406130845027,NA -quinidine,10000,nM,hERG,93.1516204635478,NA -quinidine,10000,nM,hERG,86.3035702457442,NA -quinidine,1000,nM,hERG,50.3838163150417,NA -quinidine,1000,nM,hERG,54.7047551608387,NA -quinidine,1000,nM,hERG,43.3068982693911,NA -quinidine,100,nM,hERG,14.2402362469551,NA -quinidine,100,nM,hERG,11.7593832417001,NA -quinidine,100,nM,hERG,21.6761588544924,NA -quinidine,100,nM,hERG,13.0808051294739,NA -quinidine,100,nM,hERG,18.0306355391417,NA -quinidine,100,nM,hERG,8.0592039434867,NA -quinidine,300,nM,hERG,26.1601494071489,NA -quinidine,300,nM,hERG,19.5675950522995,NA -quinidine,300,nM,hERG,23.332162506428,NA -quinidine,300,nM,hERG,32.8574785337645,NA -ondansetron,300,nM,hERG,14.5443829642309,NA -ondansetron,300,nM,hERG,18.5450179569243,NA -ondansetron,300,nM,hERG,17.7852756898885,NA -ondansetron,300,nM,hERG,19.183926504431,NA -ondansetron,300,nM,hERG,17.069191298757,NA -ondansetron,300,nM,hERG,25.0101444893543,NA -ondansetron,300,nM,hERG,26.5382074867154,NA -ondansetron,10000,nM,hERG,89.6545568844151,NA -ondansetron,10000,nM,hERG,86.4706024467126,NA -ondansetron,10000,nM,hERG,88.6549408795835,NA -ondansetron,10000,nM,hERG,87.7400776860443,NA -ondansetron,10000,nM,hERG,86.7591755357388,NA -ondansetron,10000,nM,hERG,83.8584333918798,NA -ondansetron,1000,nM,hERG,45.3256863029166,NA -ondansetron,1000,nM,hERG,50.1347637818241,NA -ondansetron,1000,nM,hERG,36.6351410004416,NA -ondansetron,1000,nM,hERG,46.6580540588252,NA -ondansetron,1000,nM,hERG,45.6667735396565,NA -ondansetron,3000,nM,hERG,61.1352496429582,NA -ondansetron,3000,nM,hERG,65.4074493485515,NA -ondansetron,3000,nM,hERG,71.4307722033934,NA -ondansetron,3000,nM,hERG,65.2558340960536,NA -ondansetron,3000,nM,hERG,70.280285530942,NA -ondansetron,3000,nM,hERG,67.2688393841257,NA -diltiazem,1e+05,nM,hERG,87.1368871674651,NA -diltiazem,1e+05,nM,hERG,86.6681015633541,NA -diltiazem,1e+05,nM,hERG,86.1774942380627,NA -diltiazem,1e+05,nM,hERG,88.0869791708852,NA -diltiazem,10000,nM,hERG,43.3478631461406,NA -diltiazem,10000,nM,hERG,44.0730968981357,NA -diltiazem,10000,nM,hERG,39.7430022027987,NA -diltiazem,10000,nM,hERG,40.4152588766934,NA -diltiazem,10000,nM,hERG,44.8083307698443,NA -diltiazem,10000,nM,hERG,41.8856515132229,NA -diltiazem,30000,nM,hERG,69.5327655826057,NA -diltiazem,30000,nM,hERG,65.5240247846927,NA -diltiazem,30000,nM,hERG,70.9048714563551,NA -diltiazem,30000,nM,hERG,69.099046000329,NA -diltiazem,3000,nM,hERG,21.1121679935047,NA -diltiazem,3000,nM,hERG,28.4445643621984,NA -diltiazem,3000,nM,hERG,20.6376407093023,NA -diltiazem,3000,nM,hERG,20.8171373258701,NA -diltiazem,3000,nM,hERG,19.2281938402444,NA -chlorpromazine,1000,nM,hERG,45.595962928186,NA -chlorpromazine,1000,nM,hERG,46.9126950790677,NA -chlorpromazine,1000,nM,hERG,50.2149961061551,NA -chlorpromazine,1000,nM,hERG,44.1116576628973,NA -chlorpromazine,1000,nM,hERG,45.5006049012418,NA -chlorpromazine,1000,nM,hERG,41.897045438078,NA -chlorpromazine,100,nM,hERG,21.3785790152861,NA -chlorpromazine,100,nM,hERG,10.339791386755,NA -chlorpromazine,100,nM,hERG,18.2571655075659,NA -chlorpromazine,100,nM,hERG,14.2031157801417,NA -chlorpromazine,100,nM,hERG,12.6810594770088,NA -chlorpromazine,100,nM,hERG,16.7071718776783,NA -chlorpromazine,3000,nM,hERG,82.6394726880877,NA -chlorpromazine,3000,nM,hERG,73.0421970302543,NA -chlorpromazine,3000,nM,hERG,75.8397777994529,NA -chlorpromazine,3000,nM,hERG,77.8835420159201,NA -chlorpromazine,300,nM,hERG,32.4883176933101,NA -chlorpromazine,300,nM,hERG,36.6554200084243,NA -chlorpromazine,300,nM,hERG,24.3577640513933,NA -chlorpromazine,300,nM,hERG,22.076989074287,NA -chlorpromazine,300,nM,hERG,26.2031797162816,NA diff --git a/Hill_fitting/data/mergedpatchclampdata-20160514.csv b/Hill_fitting/data/mergedpatchclampdata-20160514.csv deleted file mode 100644 index aecdaa7..0000000 --- a/Hill_fitting/data/mergedpatchclampdata-20160514.csv +++ /dev/null @@ -1,2611 +0,0 @@ -Drug,Conc,Units,channel,block,pacing -Amiodarone,0.8,nM,Calcium,0,0.1 -Amiodarone,0.8,nM,Calcium,1.9,0.1 -Amiodarone,0.8,nM,Calcium,0.3,0.1 -Amiodarone,80,nM,Calcium,17.4,0.1 -Amiodarone,80,nM,Calcium,12.9,0.1 -Amiodarone,80,nM,Calcium,19.1,0.1 -Amiodarone,800,nM,Calcium,36.8,0.1 -Amiodarone,800,nM,Calcium,52.8,0.1 -Amiodarone,800,nM,Calcium,40.9,0.1 -Amiodarone,8000,nM,Calcium,69.2,0.1 -Amiodarone,8000,nM,Calcium,83.6,0.1 -Amiodarone,8000,nM,Calcium,69.6,0.1 -Amiodarone,0.8,nM,hERG,0,0.1 -Amiodarone,0.8,nM,hERG,0,0.1 -Amiodarone,0.8,nM,hERG,0,0.1 -Amiodarone,80,nM,hERG,12,0.1 -Amiodarone,80,nM,hERG,17.8,0.1 -Amiodarone,80,nM,hERG,14.8,0.1 -Amiodarone,800,nM,hERG,37.5,0.1 -Amiodarone,800,nM,hERG,62.7,0.1 -Amiodarone,800,nM,hERG,60.2,0.1 -Amiodarone,8000,nM,hERG,66.5,0.1 -Amiodarone,8000,nM,hERG,80.2,0.1 -Amiodarone,8000,nM,hERG,73.3,0.1 -Amiodarone,0.8,nM,IK1,2.9,0.1 -Amiodarone,0.8,nM,IK1,0,0.1 -Amiodarone,0.8,nM,IK1,3.4,0.1 -Amiodarone,80,nM,IK1,0,0.1 -Amiodarone,80,nM,IK1,0,0.1 -Amiodarone,80,nM,IK1,0,0.1 -Amiodarone,800,nM,IK1,0.9,0.1 -Amiodarone,800,nM,IK1,3.5,0.1 -Amiodarone,800,nM,IK1,0,0.1 -Amiodarone,8000,nM,IK1,1.5,0.1 -Amiodarone,8000,nM,IK1,0,0.1 -Amiodarone,8000,nM,IK1,0,0.1 -Amiodarone,0.8,nM,IKs,4.6,0.1 -Amiodarone,0.8,nM,IKs,0,0.1 -Amiodarone,0.8,nM,IKs,0.5,0.1 -Amiodarone,80,nM,IKs,4.3,0.1 -Amiodarone,80,nM,IKs,3.9,0.1 -Amiodarone,80,nM,IKs,3.5,0.1 -Amiodarone,800,nM,IKs,13.3,0.1 -Amiodarone,800,nM,IKs,20.9,0.1 -Amiodarone,800,nM,IKs,9.6,0.1 -Amiodarone,8000,nM,IKs,23.6,0.1 -Amiodarone,8000,nM,IKs,39.9,0.1 -Amiodarone,8000,nM,IKs,48.7,0.1 -Amiodarone,0.8,nM,Kv4.3,6.2,0.1 -Amiodarone,0.8,nM,Kv4.3,1.6,0.1 -Amiodarone,0.8,nM,Kv4.3,4.6,0.1 -Amiodarone,0.8,nM,Kv4.3,14.3,0.1 -Amiodarone,80,nM,Kv4.3,18.5,0.1 -Amiodarone,80,nM,Kv4.3,27,0.1 -Amiodarone,80,nM,Kv4.3,6.1,0.1 -Amiodarone,80,nM,Kv4.3,27.3,0.1 -Amiodarone,800,nM,Kv4.3,38.5,0.1 -Amiodarone,800,nM,Kv4.3,49.3,0.1 -Amiodarone,800,nM,Kv4.3,19.7,0.1 -Amiodarone,800,nM,Kv4.3,28.6,0.1 -Amiodarone,8000,nM,Kv4.3,74.9,0.1 -Amiodarone,8000,nM,Kv4.3,45.5,0.1 -Amiodarone,8000,nM,Kv4.3,55.9,0.1 -Amiodarone,0.8,nM,Late sodium,2.3,0.1 -Amiodarone,0.8,nM,Late sodium,0,0.1 -Amiodarone,0.8,nM,Late sodium,0,0.1 -Amiodarone,80,nM,Late sodium,21,0.1 -Amiodarone,80,nM,Late sodium,13.5,0.1 -Amiodarone,80,nM,Late sodium,9.2,0.1 -Amiodarone,800,nM,Late sodium,28.4,0.1 -Amiodarone,800,nM,Late sodium,23.8,0.1 -Amiodarone,800,nM,Late sodium,49.7,0.1 -Amiodarone,8000,nM,Late sodium,38.4,0.1 -Amiodarone,8000,nM,Late sodium,36.9,0.1 -Amiodarone,8000,nM,Late sodium,59.3,0.1 -Amiodarone,8000,nM,Late sodium,53.3,0.1 -Amiodarone,0.8,nM,Peak sodium,0,0.1 -Amiodarone,0.8,nM,Peak sodium,0.2,0.1 -Amiodarone,0.8,nM,Peak sodium,0.04,0.1 -Amiodarone,80,nM,Peak sodium,0,0.1 -Amiodarone,80,nM,Peak sodium,0.5,0.1 -Amiodarone,80,nM,Peak sodium,0.3,0.1 -Amiodarone,800,nM,Peak sodium,25.3,0.1 -Amiodarone,800,nM,Peak sodium,17.5,0.1 -Amiodarone,800,nM,Peak sodium,24.1,0.1 -Amiodarone,800,nM,Peak sodium,26.9,0.1 -Amiodarone,8000,nM,Peak sodium,60.3,0.1 -Amiodarone,8000,nM,Peak sodium,75.3,0.1 -Amiodarone,8000,nM,Peak sodium,42.3,0.1 -Amitriptyline,36,nM,Kv4.3,26.1,0.1 -Amitriptyline,36,nM,Kv4.3,50.8,0.1 -Amitriptyline,36,nM,Kv4.3,19.7,0.1 -Amitriptyline,36,nM,Kv4.3,0,0.1 -Amitriptyline,36,nM,Kv4.3,0,0.1 -Amitriptyline,360,nM,Kv4.3,47.8,0.1 -Amitriptyline,360,nM,Kv4.3,58.8,0.1 -Amitriptyline,360,nM,Kv4.3,3.6,0.1 -Amitriptyline,360,nM,Kv4.3,11.7,0.1 -Amitriptyline,3600,nM,Kv4.3,63.8,0.1 -Amitriptyline,3600,nM,Kv4.3,80.9,0.1 -Amitriptyline,3600,nM,Kv4.3,12,0.1 -Amitriptyline,3600,nM,Kv4.3,19.5,0.1 -Amitriptyline,36000,nM,Kv4.3,80,0.1 -Amitriptyline,36000,nM,Kv4.3,87.7,0.1 -Amitriptyline,36000,nM,Kv4.3,71.7,0.1 -Amitriptyline,36000,nM,Kv4.3,80,0.1 -Amitriptyline,36000,nM,Kv4.3,87.7,0.1 -Amitriptyline,36000,nM,Kv4.3,80,0.1 -Amitriptyline,36,nM,Late sodium,0,0.1 -Amitriptyline,36,nM,Late sodium,0,0.1 -Amitriptyline,36,nM,Late sodium,5.8,0.1 -Amitriptyline,360,nM,Late sodium,30.5,0.1 -Amitriptyline,360,nM,Late sodium,20.4,0.1 -Amitriptyline,360,nM,Late sodium,30.3,0.1 -Amitriptyline,3600,nM,Late sodium,47.5,0.1 -Amitriptyline,3600,nM,Late sodium,34.9,0.1 -Amitriptyline,3600,nM,Late sodium,51.8,0.1 -Amitriptyline,36000,nM,Late sodium,85.4,0.1 -Amitriptyline,36000,nM,Late sodium,66,0.1 -Amitriptyline,36000,nM,Late sodium,74.4,0.1 -Amitriptyline,36,nM,Calcium,4,0.1 -Amitriptyline,36,nM,Calcium,6.4,0.1 -Amitriptyline,36,nM,Calcium,5.8,0.1 -Amitriptyline,360,nM,Calcium,24.5,0.1 -Amitriptyline,360,nM,Calcium,17.4,0.1 -Amitriptyline,360,nM,Calcium,19.8,0.1 -Amitriptyline,3600,nM,Calcium,76.7,0.1 -Amitriptyline,3600,nM,Calcium,64.9,0.1 -Amitriptyline,3600,nM,Calcium,82.2,0.1 -Amitriptyline,36000,nM,Calcium,97.8,0.1 -Amitriptyline,36000,nM,Calcium,93.1,0.1 -Amitriptyline,36000,nM,Calcium,93.8,0.1 -Amitriptyline,36,nM,hERG,0,0.1 -Amitriptyline,36,nM,hERG,0,0.1 -Amitriptyline,36,nM,hERG,2.7,0.1 -Amitriptyline,360,nM,hERG,11.1,0.1 -Amitriptyline,360,nM,hERG,7.4,0.1 -Amitriptyline,360,nM,hERG,17.2,0.1 -Amitriptyline,3600,nM,hERG,34.2,0.1 -Amitriptyline,3600,nM,hERG,52.3,0.1 -Amitriptyline,3600,nM,hERG,58,0.1 -Amitriptyline,36000,nM,hERG,92.6,0.1 -Amitriptyline,36000,nM,hERG,94.8,0.1 -Amitriptyline,36000,nM,hERG,88.2,0.1 -Amitriptyline,36,nM,IK1,0,0.1 -Amitriptyline,36,nM,IK1,0,0.1 -Amitriptyline,36,nM,IK1,0,0.1 -Amitriptyline,360,nM,IK1,0,0.1 -Amitriptyline,360,nM,IK1,2.3,0.1 -Amitriptyline,360,nM,IK1,5.2,0.1 -Amitriptyline,3600,nM,IK1,0,0.1 -Amitriptyline,3600,nM,IK1,1.7,0.1 -Amitriptyline,3600,nM,IK1,0,0.1 -Amitriptyline,36000,nM,IK1,0,0.1 -Amitriptyline,36000,nM,IK1,2.6,0.1 -Amitriptyline,36000,nM,IK1,12.2,0.1 -Amitriptyline,36,nM,IKs,10.1,0.1 -Amitriptyline,36,nM,IKs,16.6,0.1 -Amitriptyline,36,nM,IKs,9.7,0.1 -Amitriptyline,360,nM,IKs,34.8,0.1 -Amitriptyline,360,nM,IKs,27.2,0.1 -Amitriptyline,360,nM,IKs,21.8,0.1 -Amitriptyline,3600,nM,IKs,44.1,0.1 -Amitriptyline,3600,nM,IKs,48.8,0.1 -Amitriptyline,3600,nM,IKs,57.7,0.1 -Amitriptyline,36000,nM,IKs,93.3,0.1 -Amitriptyline,36000,nM,IKs,62.3,0.1 -Amitriptyline,36000,nM,IKs,82.4,0.1 -Amitriptyline,36000,nM,IKs,81.9,0.1 -Amitriptyline,36,nM,Peak sodium,3.1,0.1 -Amitriptyline,36,nM,Peak sodium,0,0.1 -Amitriptyline,36,nM,Peak sodium,0,0.1 -Amitriptyline,360,nM,Peak sodium,8,0.1 -Amitriptyline,360,nM,Peak sodium,11.6,0.1 -Amitriptyline,360,nM,Peak sodium,14.5,0.1 -Amitriptyline,3600,nM,Peak sodium,28.3,0.1 -Amitriptyline,3600,nM,Peak sodium,34.1,0.1 -Amitriptyline,3600,nM,Peak sodium,37.7,0.1 -Amitriptyline,36000,nM,Peak sodium,95.4,0.1 -Amitriptyline,36000,nM,Peak sodium,91.4,0.1 -Amitriptyline,36000,nM,Peak sodium,95.7,0.1 -Azithromycin,2000,nM,Calcium,0,0.1 -Azithromycin,2000,nM,Calcium,0,0.1 -Azithromycin,2000,nM,Calcium,0,0.1 -Azithromycin,20000,nM,Calcium,0,0.1 -Azithromycin,20000,nM,Calcium,0,0.1 -Azithromycin,20000,nM,Calcium,0,0.1 -Azithromycin,1e+05,nM,Calcium,1.5,0.1 -Azithromycin,1e+05,nM,Calcium,0,0.1 -Azithromycin,1e+05,nM,Calcium,3.8,0.1 -Azithromycin,1e+05,nM,Calcium,2.6,0.1 -Azithromycin,1e+05,nM,Calcium,0.3,0.1 -Azithromycin,3e+05,nM,Calcium,28.8,0.1 -Azithromycin,3e+05,nM,Calcium,5.6,0.1 -Azithromycin,3e+05,nM,Calcium,8.7,0.1 -Azithromycin,3e+05,nM,Calcium,13.7,0.1 -Azithromycin,2000,nM,hERG,10.5,0.1 -Azithromycin,2000,nM,hERG,10.6,0.1 -Azithromycin,2000,nM,hERG,21.4,0.1 -Azithromycin,20000,nM,hERG,34,0.1 -Azithromycin,20000,nM,hERG,21.1,0.1 -Azithromycin,20000,nM,hERG,55.8,0.1 -Azithromycin,1e+05,nM,hERG,48.4,0.1 -Azithromycin,1e+05,nM,hERG,36.2,0.1 -Azithromycin,1e+05,nM,hERG,70.3,0.1 -Azithromycin,3e+05,nM,hERG,73.7,0.1 -Azithromycin,3e+05,nM,hERG,60.4,0.1 -Azithromycin,3e+05,nM,hERG,70.7,0.1 -Azithromycin,2000,nM,IK1,0,0.1 -Azithromycin,2000,nM,IK1,0,0.1 -Azithromycin,2000,nM,IK1,0,0.1 -Azithromycin,20000,nM,IK1,0,0.1 -Azithromycin,20000,nM,IK1,0,0.1 -Azithromycin,20000,nM,IK1,0,0.1 -Azithromycin,1e+05,nM,IK1,0,0.1 -Azithromycin,1e+05,nM,IK1,0,0.1 -Azithromycin,1e+05,nM,IK1,0,0.1 -Azithromycin,3e+05,nM,IK1,3.6,0.1 -Azithromycin,3e+05,nM,IK1,5.4,0.1 -Azithromycin,3e+05,nM,IK1,2.8,0.1 -Azithromycin,2000,nM,IKs,0,0.1 -Azithromycin,2000,nM,IKs,0,0.1 -Azithromycin,2000,nM,IKs,0,0.1 -Azithromycin,20000,nM,IKs,0,0.1 -Azithromycin,20000,nM,IKs,0,0.1 -Azithromycin,20000,nM,IKs,0,0.1 -Azithromycin,1e+05,nM,IKs,11.9,0.1 -Azithromycin,1e+05,nM,IKs,10.5,0.1 -Azithromycin,1e+05,nM,IKs,11.7,0.1 -Azithromycin,3e+05,nM,IKs,31.4,0.1 -Azithromycin,3e+05,nM,IKs,19.3,0.1 -Azithromycin,3e+05,nM,IKs,39.1,0.1 -Azithromycin,3e+05,nM,IKs,50.7,0.1 -Azithromycin,2000,nM,Peak sodium,0,0.1 -Azithromycin,2000,nM,Peak sodium,0,0.1 -Azithromycin,2000,nM,Peak sodium,0,0.1 -Azithromycin,20000,nM,Peak sodium,0,0.1 -Azithromycin,20000,nM,Peak sodium,0,0.1 -Azithromycin,20000,nM,Peak sodium,4.1,0.1 -Azithromycin,1e+05,nM,Peak sodium,3.4,0.1 -Azithromycin,1e+05,nM,Peak sodium,0,0.1 -Azithromycin,1e+05,nM,Peak sodium,2.2,0.1 -Azithromycin,3e+05,nM,Peak sodium,18.9,0.1 -Azithromycin,3e+05,nM,Peak sodium,6,0.1 -Azithromycin,3e+05,nM,Peak sodium,17.5,0.1 -Azithromycin,2000,nM,Kv4.3,9.6,0.1 -Azithromycin,2000,nM,Kv4.3,19.2,0.1 -Azithromycin,2000,nM,Kv4.3,10.4,0.1 -Azithromycin,20000,nM,Kv4.3,47.9,0.1 -Azithromycin,20000,nM,Kv4.3,44.2,0.1 -Azithromycin,20000,nM,Kv4.3,6.1,0.1 -Azithromycin,1e+05,nM,Kv4.3,68.5,0.1 -Azithromycin,1e+05,nM,Kv4.3,55.7,0.1 -Azithromycin,1e+05,nM,Kv4.3,18.4,0.1 -Azithromycin,3e+05,nM,Kv4.3,83.6,0.1 -Azithromycin,3e+05,nM,Kv4.3,67.3,0.1 -Azithromycin,3e+05,nM,Kv4.3,53.8,0.1 -Azithromycin,2000,nM,Late sodium,0,0.1 -Azithromycin,2000,nM,Late sodium,2.4,0.1 -Azithromycin,2000,nM,Late sodium,3.2,0.1 -Azithromycin,20000,nM,Late sodium,0.9,0.1 -Azithromycin,20000,nM,Late sodium,7.8,0.1 -Azithromycin,20000,nM,Late sodium,3.9,0.1 -Azithromycin,1e+05,nM,Late sodium,23.3,0.1 -Azithromycin,1e+05,nM,Late sodium,20.9,0.1 -Azithromycin,1e+05,nM,Late sodium,24.4,0.1 -Azithromycin,3e+05,nM,Late sodium,64.2,0.1 -Azithromycin,3e+05,nM,Late sodium,80.7,0.1 -Azithromycin,3e+05,nM,Late sodium,66.6,0.1 -Bepridil,30,nM,Calcium,3.7,0.1 -Bepridil,30,nM,Calcium,1.6,0.1 -Bepridil,30,nM,Calcium,7.4,0.1 -Bepridil,180,nM,Calcium,25.8,0.1 -Bepridil,180,nM,Calcium,7.7,0.1 -Bepridil,180,nM,Calcium,9.9,0.1 -Bepridil,900,nM,Calcium,46.7,0.1 -Bepridil,900,nM,Calcium,26.1,0.1 -Bepridil,900,nM,Calcium,25.9,0.1 -Bepridil,3000,nM,Calcium,57,0.1 -Bepridil,3000,nM,Calcium,50.2,0.1 -Bepridil,3000,nM,Calcium,44.9,0.1 -Bepridil,30,nM,hERG,24.2,0.1 -Bepridil,30,nM,hERG,15.5,0.1 -Bepridil,30,nM,hERG,12.5,0.1 -Bepridil,180,nM,hERG,83.9,0.1 -Bepridil,180,nM,hERG,50.2,0.1 -Bepridil,180,nM,hERG,38.2,0.1 -Bepridil,900,nM,hERG,94.7,0.1 -Bepridil,900,nM,hERG,78,0.1 -Bepridil,900,nM,hERG,64,0.1 -Bepridil,3000,nM,hERG,100,0.1 -Bepridil,3000,nM,hERG,100,0.1 -Bepridil,3000,nM,hERG,84.2,0.1 -Bepridil,30,nM,IK1,2.9,0.1 -Bepridil,30,nM,IK1,0.5,0.1 -Bepridil,30,nM,IK1,0,0.1 -Bepridil,180,nM,IK1,0,0.1 -Bepridil,180,nM,IK1,0.2,0.1 -Bepridil,180,nM,IK1,0,0.1 -Bepridil,900,nM,IK1,0,0.1 -Bepridil,900,nM,IK1,0,0.1 -Bepridil,900,nM,IK1,0.4,0.1 -Bepridil,3000,nM,IK1,0,0.1 -Bepridil,3000,nM,IK1,0,0.1 -Bepridil,3000,nM,IK1,1.6,0.1 -Bepridil,30,nM,IKs,0,0.1 -Bepridil,30,nM,IKs,0.9,0.1 -Bepridil,30,nM,IKs,0,0.1 -Bepridil,180,nM,IKs,0,0.1 -Bepridil,180,nM,IKs,0.7,0.1 -Bepridil,180,nM,IKs,0,0.1 -Bepridil,900,nM,IKs,2.4,0.1 -Bepridil,900,nM,IKs,17.9,0.1 -Bepridil,900,nM,IKs,11.2,0.1 -Bepridil,900,nM,IKs,7.3,0.1 -Bepridil,3000,nM,IKs,18.8,0.1 -Bepridil,3000,nM,IKs,14.6,0.1 -Bepridil,3000,nM,IKs,15.2,0.1 -Bepridil,30,nM,Kv4.3,0,0.1 -Bepridil,30,nM,Kv4.3,0,0.1 -Bepridil,30,nM,Kv4.3,0,0.1 -Bepridil,180,nM,Kv4.3,0.2,0.1 -Bepridil,180,nM,Kv4.3,0,0.1 -Bepridil,180,nM,Kv4.3,0,0.1 -Bepridil,900,nM,Kv4.3,0.1,0.1 -Bepridil,900,nM,Kv4.3,0,0.1 -Bepridil,900,nM,Kv4.3,0,0.1 -Bepridil,3000,nM,Kv4.3,0,0.1 -Bepridil,3000,nM,Kv4.3,6.2,0.1 -Bepridil,3000,nM,Kv4.3,3.2,0.1 -Bepridil,3000,nM,Kv4.3,0,0.1 -Bepridil,30,nM,Late sodium,2,0.1 -Bepridil,30,nM,Late sodium,5.9,0.1 -Bepridil,30,nM,Late sodium,0,0.1 -Bepridil,180,nM,Late sodium,2.9,0.1 -Bepridil,180,nM,Late sodium,5.5,0.1 -Bepridil,180,nM,Late sodium,0,0.1 -Bepridil,900,nM,Late sodium,20.7,0.1 -Bepridil,900,nM,Late sodium,28.3,0.1 -Bepridil,900,nM,Late sodium,32.8,0.1 -Bepridil,3000,nM,Late sodium,61.4,0.1 -Bepridil,3000,nM,Late sodium,61.5,0.1 -Bepridil,3000,nM,Late sodium,78.1,0.1 -Bepridil,30,nM,Peak sodium,0,0.1 -Bepridil,30,nM,Peak sodium,2.2,0.1 -Bepridil,30,nM,Peak sodium,1.2,0.1 -Bepridil,180,nM,Peak sodium,5.4,0.1 -Bepridil,180,nM,Peak sodium,7.9,0.1 -Bepridil,180,nM,Peak sodium,8.1,0.1 -Bepridil,180,nM,Peak sodium,13.9,0.1 -Bepridil,900,nM,Peak sodium,15.2,0.1 -Bepridil,900,nM,Peak sodium,9.1,0.1 -Bepridil,900,nM,Peak sodium,13.1,0.1 -Bepridil,900,nM,Peak sodium,32.6,0.1 -Bepridil,3000,nM,Peak sodium,61.7,0.1 -Bepridil,3000,nM,Peak sodium,53.7,0.1 -Bepridil,3000,nM,Peak sodium,42.8,0.1 -Bepridil,3000,nM,Peak sodium,48.6,0.1 -Chloroquine,250,nM,Kv4.3,3.5,0.1 -Chloroquine,250,nM,Kv4.3,0,0.1 -Chloroquine,250,nM,Kv4.3,0,0.1 -Chloroquine,750,nM,Kv4.3,4.4,0.1 -Chloroquine,750,nM,Kv4.3,0.6,0.1 -Chloroquine,750,nM,Kv4.3,0,0.1 -Chloroquine,2500,nM,Kv4.3,0,0.1 -Chloroquine,2500,nM,Kv4.3,2.8,0.1 -Chloroquine,2500,nM,Kv4.3,1,0.1 -Chloroquine,25000,nM,Kv4.3,4.9,0.1 -Chloroquine,25000,nM,Kv4.3,0,0.1 -Chloroquine,25000,nM,Kv4.3,3.9,0.1 -Chloroquine,25000,nM,Kv4.3,11.9,0.1 -Chloroquine,25000,nM,Kv4.3,0,0.1 -Chloroquine,25000,nM,Kv4.3,0.8,0.1 -Chloroquine,250,nM,Late sodium,0,0.1 -Chloroquine,250,nM,Late sodium,0,0.1 -Chloroquine,250,nM,Late sodium,0,0.1 -Chloroquine,750,nM,Late sodium,10.4,0.1 -Chloroquine,750,nM,Late sodium,0,0.1 -Chloroquine,750,nM,Late sodium,0,0.1 -Chloroquine,2500,nM,Late sodium,11.3,0.1 -Chloroquine,2500,nM,Late sodium,13.1,0.1 -Chloroquine,2500,nM,Late sodium,4.1,0.1 -Chloroquine,25000,nM,Late sodium,11.8,0.1 -Chloroquine,25000,nM,Late sodium,28.2,0.1 -Chloroquine,25000,nM,Late sodium,23.8,0.1 -Chloroquine,250,nM,Calcium,4.8,0.1 -Chloroquine,250,nM,Calcium,0,0.1 -Chloroquine,250,nM,Calcium,0.9,0.1 -Chloroquine,750,nM,Calcium,7,0.1 -Chloroquine,750,nM,Calcium,0,0.1 -Chloroquine,750,nM,Calcium,1.6,0.1 -Chloroquine,2500,nM,Calcium,7.8,0.1 -Chloroquine,2500,nM,Calcium,0,0.1 -Chloroquine,2500,nM,Calcium,1,0.1 -Chloroquine,25000,nM,Calcium,2.5,0.1 -Chloroquine,25000,nM,Calcium,2.8,0.1 -Chloroquine,25000,nM,Calcium,11.8,0.1 -Chloroquine,250,nM,hERG,5.5,0.1 -Chloroquine,250,nM,hERG,4.5,0.1 -Chloroquine,250,nM,hERG,7.9,0.1 -Chloroquine,750,nM,hERG,14.8,0.1 -Chloroquine,750,nM,hERG,22.3,0.1 -Chloroquine,750,nM,hERG,23.4,0.1 -Chloroquine,2500,nM,hERG,42.2,0.1 -Chloroquine,2500,nM,hERG,27.7,0.1 -Chloroquine,2500,nM,hERG,50.5,0.1 -Chloroquine,25000,nM,hERG,66.7,0.1 -Chloroquine,25000,nM,hERG,66,0.1 -Chloroquine,25000,nM,hERG,65.6,0.1 -Chloroquine,250,nM,IK1,0,0.1 -Chloroquine,250,nM,IK1,0,0.1 -Chloroquine,250,nM,IK1,0,0.1 -Chloroquine,750,nM,IK1,6.8,0.1 -Chloroquine,750,nM,IK1,11.2,0.1 -Chloroquine,750,nM,IK1,9,0.1 -Chloroquine,2500,nM,IK1,20.1,0.1 -Chloroquine,2500,nM,IK1,32.8,0.1 -Chloroquine,2500,nM,IK1,26.7,0.1 -Chloroquine,25000,nM,IK1,58.6,0.1 -Chloroquine,25000,nM,IK1,73.4,0.1 -Chloroquine,25000,nM,IK1,65.3,0.1 -Chloroquine,250,nM,IKs,0,0.1 -Chloroquine,250,nM,IKs,0.8,0.1 -Chloroquine,250,nM,IKs,0,0.1 -Chloroquine,750,nM,IKs,0.4,0.1 -Chloroquine,750,nM,IKs,0,0.1 -Chloroquine,750,nM,IKs,0,0.1 -Chloroquine,2500,nM,IKs,3.3,0.1 -Chloroquine,2500,nM,IKs,0.2,0.1 -Chloroquine,2500,nM,IKs,1.8,0.1 -Chloroquine,25000,nM,IKs,17.2,0.1 -Chloroquine,25000,nM,IKs,22,0.1 -Chloroquine,25000,nM,IKs,11.3,0.1 -Chloroquine,250,nM,Peak sodium,0,0.1 -Chloroquine,250,nM,Peak sodium,0,0.1 -Chloroquine,250,nM,Peak sodium,1.1,0.1 -Chloroquine,750,nM,Peak sodium,0,0.1 -Chloroquine,750,nM,Peak sodium,0,0.1 -Chloroquine,750,nM,Peak sodium,1.6,0.1 -Chloroquine,2500,nM,Peak sodium,0,0.1 -Chloroquine,2500,nM,Peak sodium,4.9,0.1 -Chloroquine,2500,nM,Peak sodium,9.1,0.1 -Chloroquine,25000,nM,Peak sodium,13.3,0.1 -Chloroquine,25000,nM,Peak sodium,21.6,0.1 -Chloroquine,25000,nM,Peak sodium,14.4,0.1 -Chlorpromazine,35,nM,Kv4.3,0,0.1 -Chlorpromazine,35,nM,Kv4.3,0,0.1 -Chlorpromazine,35,nM,Kv4.3,1.8,0.1 -Chlorpromazine,350,nM,Kv4.3,0,0.1 -Chlorpromazine,350,nM,Kv4.3,0.9,0.1 -Chlorpromazine,350,nM,Kv4.3,3.1,0.1 -Chlorpromazine,1750,nM,Kv4.3,0,0.1 -Chlorpromazine,1750,nM,Kv4.3,1.4,0.1 -Chlorpromazine,1750,nM,Kv4.3,10.9,0.1 -Chlorpromazine,10500,nM,Kv4.3,10.4,0.1 -Chlorpromazine,10500,nM,Kv4.3,5.7,0.1 -Chlorpromazine,10500,nM,Kv4.3,1.9,0.1 -Chlorpromazine,35,nM,Late sodium,0,0.1 -Chlorpromazine,35,nM,Late sodium,1,0.1 -Chlorpromazine,35,nM,Late sodium,0,0.1 -Chlorpromazine,350,nM,Late sodium,8.5,0.1 -Chlorpromazine,350,nM,Late sodium,9.8,0.1 -Chlorpromazine,350,nM,Late sodium,13,0.1 -Chlorpromazine,1750,nM,Late sodium,29.1,0.1 -Chlorpromazine,1750,nM,Late sodium,25.1,0.1 -Chlorpromazine,1750,nM,Late sodium,28.4,0.1 -Chlorpromazine,10500,nM,Late sodium,80.8,0.1 -Chlorpromazine,10500,nM,Late sodium,63.8,0.1 -Chlorpromazine,10500,nM,Late sodium,63.1,0.1 -Chlorpromazine,35,nM,Calcium,5.2,0.1 -Chlorpromazine,35,nM,Calcium,3.1,0.1 -Chlorpromazine,35,nM,Calcium,1.8,0.1 -Chlorpromazine,350,nM,Calcium,5.7,0.1 -Chlorpromazine,350,nM,Calcium,5.2,0.1 -Chlorpromazine,350,nM,Calcium,8.8,0.1 -Chlorpromazine,1750,nM,Calcium,26,0.1 -Chlorpromazine,1750,nM,Calcium,16.5,0.1 -Chlorpromazine,1750,nM,Calcium,20.2,0.1 -Chlorpromazine,10500,nM,Calcium,46.9,0.1 -Chlorpromazine,10500,nM,Calcium,71.3,0.1 -Chlorpromazine,10500,nM,Calcium,48.1,0.1 -Chlorpromazine,35,nM,hERG,3.3,0.1 -Chlorpromazine,35,nM,hERG,3.1,0.1 -Chlorpromazine,35,nM,hERG,0,0.1 -Chlorpromazine,350,nM,hERG,23,0.1 -Chlorpromazine,350,nM,hERG,25.6,0.1 -Chlorpromazine,350,nM,hERG,23.9,0.1 -Chlorpromazine,1750,nM,hERG,71.6,0.1 -Chlorpromazine,1750,nM,hERG,59.2,0.1 -Chlorpromazine,1750,nM,hERG,62.3,0.1 -Chlorpromazine,10500,nM,hERG,82.1,0.1 -Chlorpromazine,10500,nM,hERG,70.3,0.1 -Chlorpromazine,10500,nM,hERG,94.8,0.1 -Chlorpromazine,35,nM,IK1,0,0.1 -Chlorpromazine,35,nM,IK1,0,0.1 -Chlorpromazine,35,nM,IK1,0,0.1 -Chlorpromazine,350,nM,IK1,6.7,0.1 -Chlorpromazine,350,nM,IK1,4.8,0.1 -Chlorpromazine,350,nM,IK1,10.3,0.1 -Chlorpromazine,1750,nM,IK1,26.8,0.1 -Chlorpromazine,1750,nM,IK1,21,0.1 -Chlorpromazine,1750,nM,IK1,32.8,0.1 -Chlorpromazine,10500,nM,IK1,41.2,0.1 -Chlorpromazine,10500,nM,IK1,48.6,0.1 -Chlorpromazine,10500,nM,IK1,63.4,0.1 -Chlorpromazine,35,nM,IKs,3.8,0.1 -Chlorpromazine,35,nM,IKs,1.7,0.1 -Chlorpromazine,35,nM,IKs,0.02,0.1 -Chlorpromazine,350,nM,IKs,0.9,0.1 -Chlorpromazine,350,nM,IKs,5.7,0.1 -Chlorpromazine,350,nM,IKs,5.3,0.1 -Chlorpromazine,1750,nM,IKs,0.8,0.1 -Chlorpromazine,1750,nM,IKs,6.4,0.1 -Chlorpromazine,1750,nM,IKs,6.9,0.1 -Chlorpromazine,10500,nM,IKs,3.9,0.1 -Chlorpromazine,10500,nM,IKs,11.5,0.1 -Chlorpromazine,10500,nM,IKs,0.2,0.1 -Chlorpromazine,35,nM,Peak sodium,1.1,0.1 -Chlorpromazine,35,nM,Peak sodium,0.05,0.1 -Chlorpromazine,35,nM,Peak sodium,0,0.1 -Chlorpromazine,350,nM,Peak sodium,0,0.1 -Chlorpromazine,350,nM,Peak sodium,0,0.1 -Chlorpromazine,350,nM,Peak sodium,0,0.1 -Chlorpromazine,1750,nM,Peak sodium,10,0.1 -Chlorpromazine,1750,nM,Peak sodium,17.2,0.1 -Chlorpromazine,1750,nM,Peak sodium,12,0.1 -Chlorpromazine,10500,nM,Peak sodium,71.7,0.1 -Chlorpromazine,10500,nM,Peak sodium,82.5,0.1 -Chlorpromazine,10500,nM,Peak sodium,98.4,0.1 -Cibenzoline,600,nM,Kv4.3,0,0.1 -Cibenzoline,600,nM,Kv4.3,0,0.1 -Cibenzoline,600,nM,Kv4.3,1.3,0.1 -Cibenzoline,1800,nM,Kv4.3,0,0.1 -Cibenzoline,1800,nM,Kv4.3,0,0.1 -Cibenzoline,1800,nM,Kv4.3,2.6,0.1 -Cibenzoline,6000,nM,Kv4.3,0,0.1 -Cibenzoline,6000,nM,Kv4.3,0,0.1 -Cibenzoline,6000,nM,Kv4.3,4.1,0.1 -Cibenzoline,60000,nM,Kv4.3,0,0.1 -Cibenzoline,60000,nM,Kv4.3,0,0.1 -Cibenzoline,60000,nM,Kv4.3,5.9,0.1 -Cibenzoline,60000,nM,Kv4.3,0,0.1 -Cibenzoline,60000,nM,Kv4.3,0,0.1 -Cibenzoline,60000,nM,Kv4.3,0.6,0.1 -Cibenzoline,600,nM,Late sodium,4.3,0.1 -Cibenzoline,600,nM,Late sodium,0,0.1 -Cibenzoline,600,nM,Late sodium,0,0.1 -Cibenzoline,1800,nM,Late sodium,23.5,0.1 -Cibenzoline,1800,nM,Late sodium,0,0.1 -Cibenzoline,1800,nM,Late sodium,0,0.1 -Cibenzoline,6000,nM,Late sodium,62.8,0.1 -Cibenzoline,6000,nM,Late sodium,22.9,0.1 -Cibenzoline,6000,nM,Late sodium,26.3,0.1 -Cibenzoline,60000,nM,Late sodium,42.4,0.1 -Cibenzoline,60000,nM,Late sodium,53.8,0.1 -Cibenzoline,60000,nM,Late sodium,52.3,0.1 -Cibenzoline,600,nM,Calcium,0,0.1 -Cibenzoline,600,nM,Calcium,0.9,0.1 -Cibenzoline,600,nM,Calcium,1.2,0.1 -Cibenzoline,1800,nM,Calcium,2.8,0.1 -Cibenzoline,1800,nM,Calcium,2.9,0.1 -Cibenzoline,1800,nM,Calcium,4.3,0.1 -Cibenzoline,6000,nM,Calcium,14.8,0.1 -Cibenzoline,6000,nM,Calcium,10.6,0.1 -Cibenzoline,6000,nM,Calcium,6.7,0.1 -Cibenzoline,60000,nM,Calcium,28.6,0.1 -Cibenzoline,60000,nM,Calcium,31.8,0.1 -Cibenzoline,60000,nM,Calcium,23.8,0.1 -Cibenzoline,600,nM,hERG,14.4,0.1 -Cibenzoline,600,nM,hERG,18.4,0.1 -Cibenzoline,600,nM,hERG,22.8,0.1 -Cibenzoline,600,nM,hERG,23.6,0.1 -Cibenzoline,1800,nM,hERG,53.1,0.1 -Cibenzoline,1800,nM,hERG,49.1,0.1 -Cibenzoline,1800,nM,hERG,57.2,0.1 -Cibenzoline,6000,nM,hERG,80.9,0.1 -Cibenzoline,6000,nM,hERG,71.3,0.1 -Cibenzoline,6000,nM,hERG,61.6,0.1 -Cibenzoline,60000,nM,hERG,90.1,0.1 -Cibenzoline,60000,nM,hERG,95.6,0.1 -Cibenzoline,60000,nM,hERG,78.9,0.1 -Cibenzoline,600,nM,IK1,0,0.1 -Cibenzoline,600,nM,IK1,0,0.1 -Cibenzoline,600,nM,IK1,0,0.1 -Cibenzoline,1800,nM,IK1,10.4,0.1 -Cibenzoline,1800,nM,IK1,0,0.1 -Cibenzoline,1800,nM,IK1,0,0.1 -Cibenzoline,6000,nM,IK1,5.3,0.1 -Cibenzoline,6000,nM,IK1,0,0.1 -Cibenzoline,6000,nM,IK1,0,0.1 -Cibenzoline,60000,nM,IK1,0.3,0.1 -Cibenzoline,60000,nM,IK1,0,0.1 -Cibenzoline,60000,nM,IK1,0,0.1 -Cibenzoline,600,nM,IKs,0,0.1 -Cibenzoline,600,nM,IKs,0.2,0.1 -Cibenzoline,600,nM,IKs,2.3,0.1 -Cibenzoline,1800,nM,IKs,5.6,0.1 -Cibenzoline,1800,nM,IKs,0.9,0.1 -Cibenzoline,1800,nM,IKs,4,0.1 -Cibenzoline,6000,nM,IKs,10.3,0.1 -Cibenzoline,6000,nM,IKs,0,0.1 -Cibenzoline,6000,nM,IKs,5,0.1 -Cibenzoline,60000,nM,IKs,11.5,0.1 -Cibenzoline,60000,nM,IKs,0,0.1 -Cibenzoline,60000,nM,IKs,0,0.1 -Cibenzoline,600,nM,Peak sodium,0,0.1 -Cibenzoline,600,nM,Peak sodium,0.1,0.1 -Cibenzoline,600,nM,Peak sodium,0,0.1 -Cibenzoline,1800,nM,Peak sodium,2.3,0.1 -Cibenzoline,1800,nM,Peak sodium,5.5,0.1 -Cibenzoline,1800,nM,Peak sodium,2.3,0.1 -Cibenzoline,6000,nM,Peak sodium,12.8,0.1 -Cibenzoline,6000,nM,Peak sodium,18.3,0.1 -Cibenzoline,6000,nM,Peak sodium,21.2,0.1 -Cibenzoline,60000,nM,Peak sodium,70.3,0.1 -Cibenzoline,60000,nM,Peak sodium,84.9,0.1 -Cibenzoline,60000,nM,Peak sodium,77.9,0.1 -Cisapride,2.5,nM,Kv4.3,5.4,0.1 -Cisapride,2.5,nM,Kv4.3,0.3,0.1 -Cisapride,2.5,nM,Kv4.3,10.3,0.1 -Cisapride,7.5,nM,Kv4.3,10.5,0.1 -Cisapride,7.5,nM,Kv4.3,8.9,0.1 -Cisapride,7.5,nM,Kv4.3,0.3,0.1 -Cisapride,25,nM,Kv4.3,9.5,0.1 -Cisapride,25,nM,Kv4.3,6.1,0.1 -Cisapride,25,nM,Kv4.3,21.1,0.1 -Cisapride,125,nM,Kv4.3,17.7,0.1 -Cisapride,125,nM,Kv4.3,14.1,0.1 -Cisapride,125,nM,Kv4.3,7.7,0.1 -Cisapride,2.5,nM,Late sodium,0,0.1 -Cisapride,2.5,nM,Late sodium,0,0.1 -Cisapride,2.5,nM,Late sodium,0,0.1 -Cisapride,7.5,nM,Late sodium,0,0.1 -Cisapride,7.5,nM,Late sodium,0,0.1 -Cisapride,7.5,nM,Late sodium,0,0.1 -Cisapride,25,nM,Late sodium,0,0.1 -Cisapride,25,nM,Late sodium,0,0.1 -Cisapride,25,nM,Late sodium,0,0.1 -Cisapride,125,nM,Late sodium,0,0.1 -Cisapride,125,nM,Late sodium,0,0.1 -Cisapride,125,nM,Late sodium,0,0.1 -Cisapride,2.5,nM,Calcium,0,0.1 -Cisapride,2.5,nM,Calcium,0,0.1 -Cisapride,2.5,nM,Calcium,0,0.1 -Cisapride,7.5,nM,Calcium,0,0.1 -Cisapride,7.5,nM,Calcium,0,0.1 -Cisapride,7.5,nM,Calcium,0,0.1 -Cisapride,25,nM,Calcium,0,0.1 -Cisapride,25,nM,Calcium,0,0.1 -Cisapride,25,nM,Calcium,2.5,0.1 -Cisapride,125,nM,Calcium,0,0.1 -Cisapride,125,nM,Calcium,0,0.1 -Cisapride,125,nM,Calcium,2.2,0.1 -Cisapride,2.5,nM,hERG,6.3,0.1 -Cisapride,2.5,nM,hERG,9.2,0.1 -Cisapride,2.5,nM,hERG,11,0.1 -Cisapride,7.5,nM,hERG,29.6,0.1 -Cisapride,7.5,nM,hERG,38.4,0.1 -Cisapride,7.5,nM,hERG,42.8,0.1 -Cisapride,25,nM,hERG,65.9,0.1 -Cisapride,25,nM,hERG,73.2,0.1 -Cisapride,25,nM,hERG,78.4,0.1 -Cisapride,125,nM,hERG,95.1,0.1 -Cisapride,125,nM,hERG,90.3,0.1 -Cisapride,125,nM,hERG,100,0.1 -Cisapride,2.5,nM,IK1,0,0.1 -Cisapride,2.5,nM,IK1,0,0.1 -Cisapride,2.5,nM,IK1,0,0.1 -Cisapride,7.5,nM,IK1,0,0.1 -Cisapride,7.5,nM,IK1,0,0.1 -Cisapride,7.5,nM,IK1,0,0.1 -Cisapride,25,nM,IK1,0,0.1 -Cisapride,25,nM,IK1,0,0.1 -Cisapride,25,nM,IK1,13.7,0.1 -Cisapride,125,nM,IK1,14.6,0.1 -Cisapride,125,nM,IK1,0,0.1 -Cisapride,125,nM,IK1,1.2,0.1 -Cisapride,2.5,nM,IKs,0,0.1 -Cisapride,2.5,nM,IKs,0.01,0.1 -Cisapride,2.5,nM,IKs,1.2,0.1 -Cisapride,7.5,nM,IKs,0,0.1 -Cisapride,7.5,nM,IKs,0.01,0.1 -Cisapride,7.5,nM,IKs,1.8,0.1 -Cisapride,25,nM,IKs,0,0.1 -Cisapride,25,nM,IKs,2.2,0.1 -Cisapride,25,nM,IKs,3.4,0.1 -Cisapride,125,nM,IKs,0,0.1 -Cisapride,125,nM,IKs,0.4,0.1 -Cisapride,125,nM,IKs,4.9,0.1 -Cisapride,2.5,nM,Peak sodium,0,0.1 -Cisapride,2.5,nM,Peak sodium,0.4,0.1 -Cisapride,2.5,nM,Peak sodium,1.1,0.1 -Cisapride,7.5,nM,Peak sodium,0,0.1 -Cisapride,7.5,nM,Peak sodium,2.9,0.1 -Cisapride,7.5,nM,Peak sodium,1.7,0.1 -Cisapride,25,nM,Peak sodium,3.8,0.1 -Cisapride,25,nM,Peak sodium,6.1,0.1 -Cisapride,25,nM,Peak sodium,0,0.1 -Cisapride,25,nM,Peak sodium,0,0.1 -Cisapride,125,nM,Peak sodium,6.1,0.1 -Cisapride,125,nM,Peak sodium,0.7,0.1 -Cisapride,125,nM,Peak sodium,0,0.1 -Cisapride,125,nM,Peak sodium,2.9,0.1 -Diltiazem,20,nM,Kv4.3,0.3,0.1 -Diltiazem,20,nM,Kv4.3,0,0.1 -Diltiazem,20,nM,Kv4.3,9.6,0.1 -Diltiazem,150,nM,Kv4.3,5.5,0.1 -Diltiazem,150,nM,Kv4.3,5.8,0.1 -Diltiazem,150,nM,Kv4.3,9.8,0.1 -Diltiazem,500,nM,Kv4.3,5.9,0.1 -Diltiazem,500,nM,Kv4.3,2,0.1 -Diltiazem,500,nM,Kv4.3,9.4,0.1 -Diltiazem,12500,nM,Kv4.3,9.3,0.1 -Diltiazem,12500,nM,Kv4.3,8,0.1 -Diltiazem,12500,nM,Kv4.3,15.8,0.1 -Diltiazem,20,nM,Late sodium,0,0.1 -Diltiazem,20,nM,Late sodium,4.4,0.1 -Diltiazem,20,nM,Late sodium,0,0.1 -Diltiazem,150,nM,Late sodium,0,0.1 -Diltiazem,150,nM,Late sodium,7.8,0.1 -Diltiazem,150,nM,Late sodium,0.8,0.1 -Diltiazem,500,nM,Late sodium,3.4,0.1 -Diltiazem,500,nM,Late sodium,13.2,0.1 -Diltiazem,500,nM,Late sodium,5.3,0.1 -Diltiazem,12500,nM,Late sodium,42.4,0.1 -Diltiazem,12500,nM,Late sodium,41.4,0.1 -Diltiazem,12500,nM,Late sodium,38.1,0.1 -Diltiazem,20,nM,Calcium,30.9,0.1 -Diltiazem,20,nM,Calcium,22.4,0.1 -Diltiazem,20,nM,Calcium,22.5,0.1 -Diltiazem,150,nM,Calcium,64.3,0.1 -Diltiazem,150,nM,Calcium,42.9,0.1 -Diltiazem,150,nM,Calcium,43.5,0.1 -Diltiazem,500,nM,Calcium,89.4,0.1 -Diltiazem,500,nM,Calcium,75.3,0.1 -Diltiazem,500,nM,Calcium,70.3,0.1 -Diltiazem,12500,nM,Calcium,97.8,0.1 -Diltiazem,12500,nM,Calcium,93.1,0.1 -Diltiazem,12500,nM,Calcium,100,0.1 -Diltiazem,20,nM,hERG,0,0.1 -Diltiazem,20,nM,hERG,1.4,0.1 -Diltiazem,20,nM,hERG,7.1,0.1 -Diltiazem,150,nM,hERG,0,0.1 -Diltiazem,150,nM,hERG,1.2,0.1 -Diltiazem,150,nM,hERG,6.8,0.1 -Diltiazem,500,nM,hERG,5.1,0.1 -Diltiazem,500,nM,hERG,19.8,0.1 -Diltiazem,500,nM,hERG,13.1,0.1 -Diltiazem,12500,nM,hERG,64.2,0.1 -Diltiazem,12500,nM,hERG,59.8,0.1 -Diltiazem,12500,nM,hERG,62.9,0.1 -Diltiazem,20,nM,IK1,0,0.1 -Diltiazem,20,nM,IK1,7.9,0.1 -Diltiazem,20,nM,IK1,1.3,0.1 -Diltiazem,150,nM,IK1,0,0.1 -Diltiazem,150,nM,IK1,6.8,0.1 -Diltiazem,150,nM,IK1,6.3,0.1 -Diltiazem,500,nM,IK1,5.6,0.1 -Diltiazem,500,nM,IK1,0,0.1 -Diltiazem,500,nM,IK1,9.1,0.1 -Diltiazem,12500,nM,IK1,4.8,0.1 -Diltiazem,12500,nM,IK1,0,0.1 -Diltiazem,12500,nM,IK1,9,0.1 -Diltiazem,20,nM,IKs,0,0.1 -Diltiazem,20,nM,IKs,0.3,0.1 -Diltiazem,20,nM,IKs,0,0.1 -Diltiazem,150,nM,IKs,0,0.1 -Diltiazem,150,nM,IKs,0,0.1 -Diltiazem,150,nM,IKs,0,0.1 -Diltiazem,500,nM,IKs,0,0.1 -Diltiazem,500,nM,IKs,0,0.1 -Diltiazem,500,nM,IKs,0,0.1 -Diltiazem,12500,nM,IKs,0,0.1 -Diltiazem,12500,nM,IKs,0,0.1 -Diltiazem,12500,nM,IKs,0,0.1 -Diltiazem,20,nM,Peak sodium,0,0.1 -Diltiazem,20,nM,Peak sodium,0,0.1 -Diltiazem,20,nM,Peak sodium,0,0.1 -Diltiazem,150,nM,Peak sodium,0,0.1 -Diltiazem,150,nM,Peak sodium,0,0.1 -Diltiazem,150,nM,Peak sodium,0,0.1 -Diltiazem,500,nM,Peak sodium,4.2,0.1 -Diltiazem,500,nM,Peak sodium,0,0.1 -Diltiazem,500,nM,Peak sodium,4.3,0.1 -Diltiazem,12500,nM,Peak sodium,12.8,0.1 -Diltiazem,12500,nM,Peak sodium,27.3,0.1 -Diltiazem,12500,nM,Peak sodium,13.1,0.1 -Dofetilide,1,nM,Kv4.3,4.3,0.1 -Dofetilide,1,nM,Kv4.3,5.9,0.1 -Dofetilide,1,nM,Kv4.3,3.9,0.1 -Dofetilide,2,nM,Kv4.3,20.9,0.1 -Dofetilide,2,nM,Kv4.3,16.9,0.1 -Dofetilide,2,nM,Kv4.3,14.3,0.1 -Dofetilide,3,nM,Kv4.3,26.9,0.1 -Dofetilide,3,nM,Kv4.3,28.4,0.1 -Dofetilide,3,nM,Kv4.3,14.3,0.1 -Dofetilide,6,nM,Kv4.3,34.9,0.1 -Dofetilide,6,nM,Kv4.3,24.1,0.1 -Dofetilide,6,nM,Kv4.3,22.1,0.1 -Dofetilide,1,nM,Late sodium,3.9,0.1 -Dofetilide,1,nM,Late sodium,5.4,0.1 -Dofetilide,1,nM,Late sodium,0,0.1 -Dofetilide,2,nM,Late sodium,3.1,0.1 -Dofetilide,2,nM,Late sodium,6.5,0.1 -Dofetilide,2,nM,Late sodium,0,0.1 -Dofetilide,3,nM,Late sodium,0,0.1 -Dofetilide,3,nM,Late sodium,11.2,0.1 -Dofetilide,3,nM,Late sodium,0,0.1 -Dofetilide,6,nM,Late sodium,1.8,0.1 -Dofetilide,6,nM,Late sodium,12.1,0.1 -Dofetilide,6,nM,Late sodium,0,0.1 -Dofetilide,1,nM,Calcium,0,0.1 -Dofetilide,1,nM,Calcium,0.4,0.1 -Dofetilide,1,nM,Calcium,0,0.1 -Dofetilide,1,nM,Calcium,0,0.1 -Dofetilide,2,nM,Calcium,0,0.1 -Dofetilide,2,nM,Calcium,1.1,0.1 -Dofetilide,2,nM,Calcium,0,0.1 -Dofetilide,2,nM,Calcium,0,0.1 -Dofetilide,3,nM,Calcium,2.1,0.1 -Dofetilide,3,nM,Calcium,0,0.1 -Dofetilide,3,nM,Calcium,0,0.1 -Dofetilide,6,nM,Calcium,3.6,0.1 -Dofetilide,6,nM,Calcium,0,0.1 -Dofetilide,6,nM,Calcium,0,0.1 -Dofetilide,0.1,nM,hERG,11,0.1 -Dofetilide,0.1,nM,hERG,11.2,0.1 -Dofetilide,1,nM,hERG,47.9,0.1 -Dofetilide,1,nM,hERG,41.8,0.1 -Dofetilide,1,nM,hERG,39.6,0.1 -Dofetilide,1,nM,hERG,44.5,0.1 -Dofetilide,1,nM,hERG,47.7,0.1 -Dofetilide,2,nM,hERG,70.4,0.1 -Dofetilide,2,nM,hERG,63.3,0.1 -Dofetilide,2,nM,hERG,58.4,0.1 -Dofetilide,2,nM,hERG,50.9,0.1 -Dofetilide,2,nM,hERG,51.3,0.1 -Dofetilide,3,nM,hERG,66.6,0.1 -Dofetilide,3,nM,hERG,55.9,0.1 -Dofetilide,3,nM,hERG,53.1,0.1 -Dofetilide,6,nM,hERG,67.3,0.1 -Dofetilide,6,nM,hERG,68.7,0.1 -Dofetilide,6,nM,hERG,66.5,0.1 -Dofetilide,1,nM,IK1,0,0.1 -Dofetilide,1,nM,IK1,0.6,0.1 -Dofetilide,1,nM,IK1,0,0.1 -Dofetilide,2,nM,IK1,0,0.1 -Dofetilide,2,nM,IK1,0,0.1 -Dofetilide,2,nM,IK1,3,0.1 -Dofetilide,3,nM,IK1,0,0.1 -Dofetilide,3,nM,IK1,0,0.1 -Dofetilide,3,nM,IK1,12.4,0.1 -Dofetilide,6,nM,IK1,0,0.1 -Dofetilide,6,nM,IK1,0,0.1 -Dofetilide,6,nM,IK1,10.1,0.1 -Dofetilide,1,nM,IKs,0,0.1 -Dofetilide,1,nM,IKs,0,0.1 -Dofetilide,1,nM,IKs,0,0.1 -Dofetilide,2,nM,IKs,1.3,0.1 -Dofetilide,2,nM,IKs,0,0.1 -Dofetilide,2,nM,IKs,0,0.1 -Dofetilide,3,nM,IKs,3.9,0.1 -Dofetilide,3,nM,IKs,0,0.1 -Dofetilide,3,nM,IKs,0,0.1 -Dofetilide,6,nM,IKs,0.7,0.1 -Dofetilide,6,nM,IKs,0,0.1 -Dofetilide,6,nM,IKs,0,0.1 -Dofetilide,1,nM,Peak sodium,0,0.1 -Dofetilide,1,nM,Peak sodium,1.4,0.1 -Dofetilide,1,nM,Peak sodium,0.1,0.1 -Dofetilide,2,nM,Peak sodium,0.8,0.1 -Dofetilide,2,nM,Peak sodium,0,0.1 -Dofetilide,2,nM,Peak sodium,2.7,0.1 -Dofetilide,3,nM,Peak sodium,0.6,0.1 -Dofetilide,3,nM,Peak sodium,0,0.1 -Dofetilide,3,nM,Peak sodium,2.5,0.1 -Dofetilide,6,nM,Peak sodium,0.8,0.1 -Dofetilide,6,nM,Peak sodium,1.5,0.1 -Dofetilide,6,nM,Peak sodium,5.1,0.1 -Flecainide,200,nM,Calcium,3.9,0.1 -Flecainide,200,nM,Calcium,1.5,0.1 -Flecainide,200,nM,Calcium,0,0.1 -Flecainide,1000,nM,Calcium,0.1,0.1 -Flecainide,1000,nM,Calcium,2.5,0.1 -Flecainide,1000,nM,Calcium,0.6,0.1 -Flecainide,4000,nM,Calcium,4.7,0.1 -Flecainide,4000,nM,Calcium,9.6,0.1 -Flecainide,4000,nM,Calcium,6.9,0.1 -Flecainide,20000,nM,Calcium,30.3,0.1 -Flecainide,20000,nM,Calcium,56.5,0.1 -Flecainide,20000,nM,Calcium,37.9,0.1 -Flecainide,200,nM,hERG,30,0.1 -Flecainide,200,nM,hERG,24.1,0.1 -Flecainide,200,nM,hERG,25.6,0.1 -Flecainide,200,nM,hERG,24.1,0.1 -Flecainide,1000,nM,hERG,54.7,0.1 -Flecainide,1000,nM,hERG,68.2,0.1 -Flecainide,1000,nM,hERG,52.6,0.1 -Flecainide,4000,nM,hERG,81,0.1 -Flecainide,4000,nM,hERG,78.8,0.1 -Flecainide,4000,nM,hERG,79,0.1 -Flecainide,20000,nM,hERG,92.8,0.1 -Flecainide,20000,nM,hERG,100,0.1 -Flecainide,20000,nM,hERG,95.5,0.1 -Flecainide,200,nM,IK1,1.6,0.1 -Flecainide,200,nM,IK1,0,0.1 -Flecainide,200,nM,IK1,0,0.1 -Flecainide,1000,nM,IK1,0,0.1 -Flecainide,1000,nM,IK1,0.6,0.1 -Flecainide,1000,nM,IK1,0,0.1 -Flecainide,4000,nM,IK1,0,0.1 -Flecainide,4000,nM,IK1,0,0.1 -Flecainide,4000,nM,IK1,0,0.1 -Flecainide,20000,nM,IK1,0,0.1 -Flecainide,20000,nM,IK1,0,0.1 -Flecainide,20000,nM,IK1,1,0.1 -Flecainide,200,nM,IKs,0,0.1 -Flecainide,200,nM,IKs,0,0.1 -Flecainide,200,nM,IKs,0,0.1 -Flecainide,1000,nM,IKs,0,0.1 -Flecainide,1000,nM,IKs,1.1,0.1 -Flecainide,1000,nM,IKs,0,0.1 -Flecainide,4000,nM,IKs,0,0.1 -Flecainide,4000,nM,IKs,0,0.1 -Flecainide,4000,nM,IKs,0,0.1 -Flecainide,20000,nM,IKs,14.7,0.1 -Flecainide,20000,nM,IKs,23.3,0.1 -Flecainide,20000,nM,IKs,13,0.1 -Flecainide,20000,nM,IKs,20.5,0.1 -Flecainide,200,nM,Kv4.3,11.3,0.1 -Flecainide,200,nM,Kv4.3,8.6,0.1 -Flecainide,200,nM,Kv4.3,11.9,0.1 -Flecainide,1000,nM,Kv4.3,12.8,0.1 -Flecainide,1000,nM,Kv4.3,18.1,0.1 -Flecainide,1000,nM,Kv4.3,13.4,0.1 -Flecainide,4000,nM,Kv4.3,34.8,0.1 -Flecainide,4000,nM,Kv4.3,36.1,0.1 -Flecainide,4000,nM,Kv4.3,30.6,0.1 -Flecainide,20000,nM,Kv4.3,68.1,0.1 -Flecainide,20000,nM,Kv4.3,58.6,0.1 -Flecainide,20000,nM,Kv4.3,67.9,0.1 -Flecainide,200,nM,Late sodium,1.8,0.1 -Flecainide,200,nM,Late sodium,6.8,0.1 -Flecainide,200,nM,Late sodium,1.7,0.1 -Flecainide,1000,nM,Late sodium,16.7,0.1 -Flecainide,1000,nM,Late sodium,20.4,0.1 -Flecainide,1000,nM,Late sodium,14.1,0.1 -Flecainide,4000,nM,Late sodium,24.5,0.1 -Flecainide,4000,nM,Late sodium,28.7,0.1 -Flecainide,4000,nM,Late sodium,17.6,0.1 -Flecainide,20000,nM,Late sodium,52.3,0.1 -Flecainide,20000,nM,Late sodium,51.8,0.1 -Flecainide,20000,nM,Late sodium,49.1,0.1 -Flecainide,20000,nM,Late sodium,53.6,0.1 -Flecainide,200,nM,Peak sodium,0,0.1 -Flecainide,200,nM,Peak sodium,0.6,0.1 -Flecainide,200,nM,Peak sodium,0,0.1 -Flecainide,1000,nM,Peak sodium,0,0.1 -Flecainide,1000,nM,Peak sodium,4.3,0.1 -Flecainide,1000,nM,Peak sodium,0.5,0.1 -Flecainide,4000,nM,Peak sodium,21.4,0.1 -Flecainide,4000,nM,Peak sodium,33.3,0.1 -Flecainide,4000,nM,Peak sodium,28.5,0.1 -Flecainide,20000,nM,Peak sodium,77.6,0.1 -Flecainide,20000,nM,Peak sodium,88.5,0.1 -Flecainide,20000,nM,Peak sodium,99.8,0.1 -Lidocaine,625,nM,Calcium,1.2,0.1 -Lidocaine,625,nM,Calcium,0,0.1 -Lidocaine,625,nM,Calcium,0,0.1 -Lidocaine,625,nM,Calcium,1.3,0.1 -Lidocaine,625,nM,Calcium,0,0.1 -Lidocaine,2500,nM,Calcium,0,0.1 -Lidocaine,2500,nM,Calcium,0,0.1 -Lidocaine,2500,nM,Calcium,3.3,0.1 -Lidocaine,2500,nM,Calcium,0,0.1 -Lidocaine,5000,nM,Calcium,0,0.1 -Lidocaine,5000,nM,Calcium,0,0.1 -Lidocaine,5000,nM,Calcium,0,0.1 -Lidocaine,10000,nM,Calcium,0,0.1 -Lidocaine,10000,nM,Calcium,0,0.1 -Lidocaine,10000,nM,Calcium,0,0.1 -Lidocaine,625,nM,hERG,0,0.1 -Lidocaine,625,nM,hERG,0,0.1 -Lidocaine,625,nM,hERG,1.5,0.1 -Lidocaine,2500,nM,hERG,0,0.1 -Lidocaine,2500,nM,hERG,1,0.1 -Lidocaine,2500,nM,hERG,2.7,0.1 -Lidocaine,5000,nM,hERG,0,0.1 -Lidocaine,5000,nM,hERG,0.4,0.1 -Lidocaine,5000,nM,hERG,1.9,0.1 -Lidocaine,10000,nM,hERG,1.8,0.1 -Lidocaine,10000,nM,hERG,3.9,0.1 -Lidocaine,10000,nM,hERG,5.4,0.1 -Lidocaine,625,nM,IK1,0,0.1 -Lidocaine,625,nM,IK1,0,0.1 -Lidocaine,625,nM,IK1,3.6,0.1 -Lidocaine,2500,nM,IK1,0,0.1 -Lidocaine,2500,nM,IK1,0,0.1 -Lidocaine,2500,nM,IK1,6.9,0.1 -Lidocaine,5000,nM,IK1,0,0.1 -Lidocaine,5000,nM,IK1,0,0.1 -Lidocaine,5000,nM,IK1,19.5,0.1 -Lidocaine,10000,nM,IK1,0,0.1 -Lidocaine,10000,nM,IK1,0,0.1 -Lidocaine,10000,nM,IK1,10.3,0.1 -Lidocaine,625,nM,IKs,0,0.1 -Lidocaine,625,nM,IKs,0,0.1 -Lidocaine,625,nM,IKs,0,0.1 -Lidocaine,2500,nM,IKs,0,0.1 -Lidocaine,2500,nM,IKs,0,0.1 -Lidocaine,2500,nM,IKs,0,0.1 -Lidocaine,5000,nM,IKs,0,0.1 -Lidocaine,5000,nM,IKs,0,0.1 -Lidocaine,5000,nM,IKs,0,0.1 -Lidocaine,10000,nM,IKs,0,0.1 -Lidocaine,10000,nM,IKs,0,0.1 -Lidocaine,10000,nM,IKs,0,0.1 -Lidocaine,625,nM,Kv4.3,NA,0.1 -Lidocaine,625,nM,Kv4.3,NA,0.1 -Lidocaine,625,nM,Kv4.3,NA,0.1 -Lidocaine,2500,nM,Kv4.3,7.4,0.1 -Lidocaine,2500,nM,Kv4.3,5.9,0.1 -Lidocaine,2500,nM,Kv4.3,5.6,0.1 -Lidocaine,5000,nM,Kv4.3,6.6,0.1 -Lidocaine,5000,nM,Kv4.3,1.1,0.1 -Lidocaine,5000,nM,Kv4.3,8,0.1 -Lidocaine,10000,nM,Kv4.3,5.1,0.1 -Lidocaine,10000,nM,Kv4.3,2.2,0.1 -Lidocaine,10000,nM,Kv4.3,4.4,0.1 -Lidocaine,15000,nM,Kv4.3,4.1,0.1 -Lidocaine,15000,nM,Kv4.3,3.4,0.1 -Lidocaine,15000,nM,Kv4.3,10.6,0.1 -Lidocaine,625,nM,Late sodium,1.7,0.1 -Lidocaine,625,nM,Late sodium,4.5,0.1 -Lidocaine,625,nM,Late sodium,5.7,0.1 -Lidocaine,2500,nM,Late sodium,13.3,0.1 -Lidocaine,2500,nM,Late sodium,15,0.1 -Lidocaine,2500,nM,Late sodium,9.2,0.1 -Lidocaine,5000,nM,Late sodium,29.1,0.1 -Lidocaine,5000,nM,Late sodium,32.6,0.1 -Lidocaine,5000,nM,Late sodium,20.8,0.1 -Lidocaine,10000,nM,Late sodium,40.9,0.1 -Lidocaine,10000,nM,Late sodium,49.1,0.1 -Lidocaine,10000,nM,Late sodium,52.8,0.1 -Lidocaine,625,nM,Peak sodium,0,0.1 -Lidocaine,625,nM,Peak sodium,0.7,0.1 -Lidocaine,625,nM,Peak sodium,0,0.1 -Lidocaine,2500,nM,Peak sodium,0,0.1 -Lidocaine,2500,nM,Peak sodium,7.3,0.1 -Lidocaine,2500,nM,Peak sodium,0,0.1 -Lidocaine,5000,nM,Peak sodium,4.6,0.1 -Lidocaine,5000,nM,Peak sodium,3.3,0.1 -Lidocaine,5000,nM,Peak sodium,4.9,0.1 -Lidocaine,10000,nM,Peak sodium,32.8,0.1 -Lidocaine,10000,nM,Peak sodium,10.7,0.1 -Lidocaine,10000,nM,Peak sodium,10.9,0.1 -Lopinavir,700,nM,Calcium,2.4,0.1 -Lopinavir,700,nM,Calcium,4.9,0.1 -Lopinavir,700,nM,Calcium,12,0.1 -Lopinavir,2100,nM,Calcium,11.7,0.1 -Lopinavir,2100,nM,Calcium,7.6,0.1 -Lopinavir,2100,nM,Calcium,21.7,0.1 -Lopinavir,7000,nM,Calcium,40.3,0.1 -Lopinavir,7000,nM,Calcium,22.5,0.1 -Lopinavir,7000,nM,Calcium,19.4,0.1 -Lopinavir,35000,nM,Calcium,56.7,0.1 -Lopinavir,35000,nM,Calcium,70.9,0.1 -Lopinavir,35000,nM,Calcium,85.9,0.1 -Lopinavir,700,nM,hERG,5.9,0.1 -Lopinavir,700,nM,hERG,8.8,0.1 -Lopinavir,700,nM,hERG,9.3,0.1 -Lopinavir,2100,nM,hERG,14.5,0.1 -Lopinavir,2100,nM,hERG,30.6,0.1 -Lopinavir,2100,nM,hERG,24.1,0.1 -Lopinavir,7000,nM,hERG,56.6,0.1 -Lopinavir,7000,nM,hERG,61,0.1 -Lopinavir,7000,nM,hERG,68.3,0.1 -Lopinavir,7000,nM,hERG,59,0.1 -Lopinavir,35000,nM,hERG,71.7,0.1 -Lopinavir,35000,nM,hERG,99.4,0.1 -Lopinavir,35000,nM,hERG,91.1,0.1 -Lopinavir,700,nM,IK1,0,0.1 -Lopinavir,700,nM,IK1,0,0.1 -Lopinavir,700,nM,IK1,0,0.1 -Lopinavir,2100,nM,IK1,0,0.1 -Lopinavir,2100,nM,IK1,0,0.1 -Lopinavir,2100,nM,IK1,0,0.1 -Lopinavir,7000,nM,IK1,0,0.1 -Lopinavir,7000,nM,IK1,0,0.1 -Lopinavir,7000,nM,IK1,0,0.1 -Lopinavir,35000,nM,IK1,0,0.1 -Lopinavir,35000,nM,IK1,0,0.1 -Lopinavir,35000,nM,IK1,0,0.1 -Lopinavir,700,nM,IKs,0.2,0.1 -Lopinavir,700,nM,IKs,1.4,0.1 -Lopinavir,700,nM,IKs,1.8,0.1 -Lopinavir,2100,nM,IKs,2,0.1 -Lopinavir,2100,nM,IKs,3.5,0.1 -Lopinavir,2100,nM,IKs,3.2,0.1 -Lopinavir,7000,nM,IKs,4.7,0.1 -Lopinavir,7000,nM,IKs,3.9,0.1 -Lopinavir,7000,nM,IKs,6.3,0.1 -Lopinavir,35000,nM,IKs,4.3,0.1 -Lopinavir,35000,nM,IKs,4.4,0.1 -Lopinavir,35000,nM,IKs,6.5,0.1 -Lopinavir,35000,nM,IKs,9.9,0.1 -Lopinavir,35000,nM,IKs,3.1,0.1 -Lopinavir,700,nM,Kv4.3,1.1,0.1 -Lopinavir,700,nM,Kv4.3,0,0.1 -Lopinavir,700,nM,Kv4.3,0,0.1 -Lopinavir,2100,nM,Kv4.3,11.3,0.1 -Lopinavir,2100,nM,Kv4.3,3.9,0.1 -Lopinavir,2100,nM,Kv4.3,7.4,0.1 -Lopinavir,7000,nM,Kv4.3,7.3,0.1 -Lopinavir,7000,nM,Kv4.3,6.8,0.1 -Lopinavir,7000,nM,Kv4.3,5.5,0.1 -Lopinavir,35000,nM,Kv4.3,45.9,0.1 -Lopinavir,35000,nM,Kv4.3,24.3,0.1 -Lopinavir,35000,nM,Kv4.3,31.8,0.1 -Lopinavir,700,nM,Late sodium,0,0.1 -Lopinavir,700,nM,Late sodium,0,0.1 -Lopinavir,700,nM,Late sodium,0.2,0.1 -Lopinavir,2100,nM,Late sodium,0,0.1 -Lopinavir,2100,nM,Late sodium,0,0.1 -Lopinavir,2100,nM,Late sodium,0,0.1 -Lopinavir,7000,nM,Late sodium,0,0.1 -Lopinavir,7000,nM,Late sodium,0,0.1 -Lopinavir,7000,nM,Late sodium,0,0.1 -Lopinavir,35000,nM,Late sodium,1.5,0.1 -Lopinavir,35000,nM,Late sodium,5.1,0.1 -Lopinavir,35000,nM,Late sodium,8.4,0.1 -Lopinavir,700,nM,Peak sodium,1.4,0.1 -Lopinavir,700,nM,Peak sodium,0.1,0.1 -Lopinavir,700,nM,Peak sodium,0,0.1 -Lopinavir,2100,nM,Peak sodium,3.1,0.1 -Lopinavir,2100,nM,Peak sodium,0,0.1 -Lopinavir,2100,nM,Peak sodium,0,0.1 -Lopinavir,7000,nM,Peak sodium,4.4,0.1 -Lopinavir,7000,nM,Peak sodium,0,0.1 -Lopinavir,7000,nM,Peak sodium,0.5,0.1 -Lopinavir,35000,nM,Peak sodium,16.8,0.1 -Lopinavir,35000,nM,Peak sodium,19.9,0.1 -Lopinavir,35000,nM,Peak sodium,0,0.1 -Mexiletine,625,nM,Calcium,0.2,0.1 -Mexiletine,625,nM,Calcium,0,0.1 -Mexiletine,625,nM,Calcium,1.1,0.1 -Mexiletine,2500,nM,Calcium,6.1,0.1 -Mexiletine,2500,nM,Calcium,0,0.1 -Mexiletine,2500,nM,Calcium,8.2,0.1 -Mexiletine,5000,nM,Calcium,14,0.1 -Mexiletine,5000,nM,Calcium,7.6,0.1 -Mexiletine,5000,nM,Calcium,15.9,0.1 -Mexiletine,10000,nM,Calcium,21.5,0.1 -Mexiletine,10000,nM,Calcium,13.9,0.1 -Mexiletine,10000,nM,Calcium,23.1,0.1 -Mexiletine,625,nM,hERG,0.6,0.1 -Mexiletine,625,nM,hERG,0.3,0.1 -Mexiletine,625,nM,hERG,0,0.1 -Mexiletine,2500,nM,hERG,0.8,0.1 -Mexiletine,2500,nM,hERG,0.2,0.1 -Mexiletine,2500,nM,hERG,0.6,0.1 -Mexiletine,5000,nM,hERG,2.2,0.1 -Mexiletine,5000,nM,hERG,2.4,0.1 -Mexiletine,5000,nM,hERG,0,0.1 -Mexiletine,10000,nM,hERG,15.1,0.1 -Mexiletine,10000,nM,hERG,4.1,0.1 -Mexiletine,10000,nM,hERG,8,0.1 -Mexiletine,625,nM,IK1,2.4,0.1 -Mexiletine,625,nM,IK1,0,0.1 -Mexiletine,625,nM,IK1,1.3,0.1 -Mexiletine,2500,nM,IK1,0.4,0.1 -Mexiletine,2500,nM,IK1,0,0.1 -Mexiletine,2500,nM,IK1,0.3,0.1 -Mexiletine,5000,nM,IK1,0.9,0.1 -Mexiletine,5000,nM,IK1,0,0.1 -Mexiletine,5000,nM,IK1,5.3,0.1 -Mexiletine,10000,nM,IK1,0,0.1 -Mexiletine,10000,nM,IK1,0,0.1 -Mexiletine,10000,nM,IK1,1.8,0.1 -Mexiletine,625,nM,IKs,0,0.1 -Mexiletine,625,nM,IKs,0,0.1 -Mexiletine,625,nM,IKs,0,0.1 -Mexiletine,2500,nM,IKs,0,0.1 -Mexiletine,2500,nM,IKs,0,0.1 -Mexiletine,2500,nM,IKs,0,0.1 -Mexiletine,5000,nM,IKs,0,0.1 -Mexiletine,5000,nM,IKs,0,0.1 -Mexiletine,5000,nM,IKs,0,0.1 -Mexiletine,10000,nM,IKs,0,0.1 -Mexiletine,10000,nM,IKs,0,0.1 -Mexiletine,10000,nM,IKs,0,0.1 -Mexiletine,625,nM,Kv4.3,3.1,0.1 -Mexiletine,625,nM,Kv4.3,2.4,0.1 -Mexiletine,625,nM,Kv4.3,0,0.1 -Mexiletine,2500,nM,Kv4.3,2.2,0.1 -Mexiletine,2500,nM,Kv4.3,2.4,0.1 -Mexiletine,2500,nM,Kv4.3,0.02,0.1 -Mexiletine,5000,nM,Kv4.3,2.8,0.1 -Mexiletine,5000,nM,Kv4.3,2.9,0.1 -Mexiletine,5000,nM,Kv4.3,1,0.1 -Mexiletine,10000,nM,Kv4.3,2.2,0.1 -Mexiletine,10000,nM,Kv4.3,0.8,0.1 -Mexiletine,10000,nM,Kv4.3,1,0.1 -Mexiletine,10000,nM,Kv4.3,0,0.1 -Mexiletine,625,nM,Late sodium,1.7,0.1 -Mexiletine,625,nM,Late sodium,4.2,0.1 -Mexiletine,625,nM,Late sodium,1.6,0.1 -Mexiletine,2500,nM,Late sodium,13.6,0.1 -Mexiletine,2500,nM,Late sodium,6.4,0.1 -Mexiletine,2500,nM,Late sodium,10.4,0.1 -Mexiletine,5000,nM,Late sodium,36.9,0.1 -Mexiletine,5000,nM,Late sodium,26.8,0.1 -Mexiletine,5000,nM,Late sodium,41.7,0.1 -Mexiletine,10000,nM,Late sodium,54.9,0.1 -Mexiletine,10000,nM,Late sodium,41.7,0.1 -Mexiletine,10000,nM,Late sodium,59.2,0.1 -Mexiletine,625,nM,Peak sodium,0,0.1 -Mexiletine,625,nM,Peak sodium,0,0.1 -Mexiletine,625,nM,Peak sodium,3.4,0.1 -Mexiletine,2500,nM,Peak sodium,0,0.1 -Mexiletine,2500,nM,Peak sodium,0,0.1 -Mexiletine,2500,nM,Peak sodium,2.4,0.1 -Mexiletine,5000,nM,Peak sodium,0,0.1 -Mexiletine,5000,nM,Peak sodium,0,0.1 -Mexiletine,5000,nM,Peak sodium,0,0.1 -Mexiletine,10000,nM,Peak sodium,1,0.1 -Mexiletine,10000,nM,Peak sodium,4.4,0.1 -Mexiletine,10000,nM,Peak sodium,13,0.1 -Mibefradil,12,nM,Calcium,0.7,0.1 -Mibefradil,12,nM,Calcium,3.6,0.1 -Mibefradil,12,nM,Calcium,0,0.1 -Mibefradil,120,nM,Calcium,11.7,0.1 -Mibefradil,120,nM,Calcium,13.9,0.1 -Mibefradil,120,nM,Calcium,9.2,0.1 -Mibefradil,1200,nM,Calcium,54.1,0.1 -Mibefradil,1200,nM,Calcium,82.4,0.1 -Mibefradil,1200,nM,Calcium,67.7,0.1 -Mibefradil,12000,nM,Calcium,86.7,0.1 -Mibefradil,12000,nM,Calcium,98.4,0.1 -Mibefradil,12000,nM,Calcium,85.9,0.1 -Mibefradil,12,nM,hERG,5.6,0.1 -Mibefradil,12,nM,hERG,15.2,0.1 -Mibefradil,12,nM,hERG,16.5,0.1 -Mibefradil,120,nM,hERG,29.8,0.1 -Mibefradil,120,nM,hERG,30.9,0.1 -Mibefradil,120,nM,hERG,21.4,0.1 -Mibefradil,1200,nM,hERG,79.1,0.1 -Mibefradil,1200,nM,hERG,86.5,0.1 -Mibefradil,1200,nM,hERG,70,0.1 -Mibefradil,12000,nM,hERG,100,0.1 -Mibefradil,12000,nM,hERG,97.2,0.1 -Mibefradil,12000,nM,hERG,88.9,0.1 -Mibefradil,12,nM,IK1,0,0.1 -Mibefradil,12,nM,IK1,0,0.1 -Mibefradil,12,nM,IK1,0,0.1 -Mibefradil,120,nM,IK1,0,0.1 -Mibefradil,120,nM,IK1,0,0.1 -Mibefradil,120,nM,IK1,0,0.1 -Mibefradil,1200,nM,IK1,6.5,0.1 -Mibefradil,1200,nM,IK1,8.3,0.1 -Mibefradil,1200,nM,IK1,7.2,0.1 -Mibefradil,12000,nM,IK1,22.3,0.1 -Mibefradil,12000,nM,IK1,25.1,0.1 -Mibefradil,12000,nM,IK1,31.2,0.1 -Mibefradil,12,nM,IKs,0,0.1 -Mibefradil,12,nM,IKs,5.4,0.1 -Mibefradil,12,nM,IKs,0,0.1 -Mibefradil,120,nM,IKs,0,0.1 -Mibefradil,120,nM,IKs,4.1,0.1 -Mibefradil,120,nM,IKs,3,0.1 -Mibefradil,1200,nM,IKs,0,0.1 -Mibefradil,1200,nM,IKs,4.9,0.1 -Mibefradil,1200,nM,IKs,0.8,0.1 -Mibefradil,12000,nM,IKs,3.6,0.1 -Mibefradil,12000,nM,IKs,8.9,0.1 -Mibefradil,12000,nM,IKs,3.6,0.1 -Mibefradil,12000,nM,IKs,2.2,0.1 -Mibefradil,12000,nM,IKs,7.1,0.1 -Mibefradil,12,nM,Kv4.3,0,0.1 -Mibefradil,12,nM,Kv4.3,0,0.1 -Mibefradil,12,nM,Kv4.3,0,0.1 -Mibefradil,120,nM,Kv4.3,0,0.1 -Mibefradil,120,nM,Kv4.3,1.4,0.1 -Mibefradil,120,nM,Kv4.3,1.9,0.1 -Mibefradil,1200,nM,Kv4.3,1.5,0.1 -Mibefradil,1200,nM,Kv4.3,0,0.1 -Mibefradil,1200,nM,Kv4.3,3,0.1 -Mibefradil,12000,nM,Kv4.3,4,0.1 -Mibefradil,12000,nM,Kv4.3,1.3,0.1 -Mibefradil,12000,nM,Kv4.3,6.5,0.1 -Mibefradil,12000,nM,Kv4.3,5.2,0.1 -Mibefradil,12000,nM,Kv4.3,10.4,0.1 -Mibefradil,12,nM,Late sodium,1.7,0.1 -Mibefradil,12,nM,Late sodium,0,0.1 -Mibefradil,12,nM,Late sodium,0.2,0.1 -Mibefradil,120,nM,Late sodium,9.1,0.1 -Mibefradil,120,nM,Late sodium,0,0.1 -Mibefradil,120,nM,Late sodium,0.4,0.1 -Mibefradil,1200,nM,Late sodium,28.8,0.1 -Mibefradil,1200,nM,Late sodium,12.1,0.1 -Mibefradil,1200,nM,Late sodium,19,0.1 -Mibefradil,12000,nM,Late sodium,79.7,0.1 -Mibefradil,12000,nM,Late sodium,87.3,0.1 -Mibefradil,12000,nM,Late sodium,77.9,0.1 -Mibefradil,12,nM,Peak sodium,0,0.1 -Mibefradil,12,nM,Peak sodium,0.6,0.1 -Mibefradil,12,nM,Peak sodium,0,0.1 -Mibefradil,120,nM,Peak sodium,0,0.1 -Mibefradil,120,nM,Peak sodium,3.2,0.1 -Mibefradil,120,nM,Peak sodium,0,0.1 -Mibefradil,1200,nM,Peak sodium,12.6,0.1 -Mibefradil,1200,nM,Peak sodium,16.8,0.1 -Mibefradil,1200,nM,Peak sodium,26.6,0.1 -Mibefradil,12000,nM,Peak sodium,52.6,0.1 -Mibefradil,12000,nM,Peak sodium,73.6,0.1 -Mibefradil,12000,nM,Peak sodium,72.3,0.1 -Moxifloxacin,7000,nM,Calcium,0,0.1 -Moxifloxacin,7000,nM,Calcium,0,0.1 -Moxifloxacin,7000,nM,Calcium,0,0.1 -Moxifloxacin,21000,nM,Calcium,0,0.1 -Moxifloxacin,21000,nM,Calcium,0,0.1 -Moxifloxacin,21000,nM,Calcium,0,0.1 -Moxifloxacin,70000,nM,Calcium,0,0.1 -Moxifloxacin,70000,nM,Calcium,0,0.1 -Moxifloxacin,70000,nM,Calcium,0,0.1 -Moxifloxacin,350000,nM,Calcium,2.9,0.1 -Moxifloxacin,350000,nM,Calcium,0,0.1 -Moxifloxacin,350000,nM,Calcium,14.2,0.1 -Moxifloxacin,7000,nM,hERG,19.6,0.1 -Moxifloxacin,7000,nM,hERG,16.5,0.1 -Moxifloxacin,7000,nM,hERG,15.3,0.1 -Moxifloxacin,21000,nM,hERG,28.3,0.1 -Moxifloxacin,21000,nM,hERG,24.6,0.1 -Moxifloxacin,21000,nM,hERG,24.1,0.1 -Moxifloxacin,70000,nM,hERG,39.4,0.1 -Moxifloxacin,70000,nM,hERG,51.8,0.1 -Moxifloxacin,70000,nM,hERG,48.9,0.1 -Moxifloxacin,350000,nM,hERG,68.1,0.1 -Moxifloxacin,350000,nM,hERG,60.6,0.1 -Moxifloxacin,350000,nM,hERG,75.2,0.1 -Moxifloxacin,350000,nM,hERG,75.6,0.1 -Moxifloxacin,7000,nM,IK1,11,0.1 -Moxifloxacin,7000,nM,IK1,0,0.1 -Moxifloxacin,7000,nM,IK1,0,0.1 -Moxifloxacin,21000,nM,IK1,12.1,0.1 -Moxifloxacin,21000,nM,IK1,0,0.1 -Moxifloxacin,21000,nM,IK1,0,0.1 -Moxifloxacin,70000,nM,IK1,0,0.1 -Moxifloxacin,70000,nM,IK1,0,0.1 -Moxifloxacin,70000,nM,IK1,0,0.1 -Moxifloxacin,70000,nM,IK1,0,0.1 -Moxifloxacin,350000,nM,IK1,9.9,0.1 -Moxifloxacin,350000,nM,IK1,0,0.1 -Moxifloxacin,350000,nM,IK1,0,0.1 -Moxifloxacin,7000,nM,IKs,0,0.1 -Moxifloxacin,7000,nM,IKs,7.9,0.1 -Moxifloxacin,7000,nM,IKs,0.7,0.1 -Moxifloxacin,7000,nM,IKs,3.9,0.1 -Moxifloxacin,7000,nM,IKs,15.5,0.1 -Moxifloxacin,21000,nM,IKs,35.8,0.1 -Moxifloxacin,21000,nM,IKs,34.1,0.1 -Moxifloxacin,21000,nM,IKs,22.7,0.1 -Moxifloxacin,21000,nM,IKs,39.6,0.1 -Moxifloxacin,21000,nM,IKs,34.8,0.1 -Moxifloxacin,70000,nM,IKs,49.7,0.1 -Moxifloxacin,70000,nM,IKs,78.3,0.1 -Moxifloxacin,70000,nM,IKs,35,0.1 -Moxifloxacin,70000,nM,IKs,83.4,0.1 -Moxifloxacin,70000,nM,IKs,54.8,0.1 -Moxifloxacin,350000,nM,IKs,73.1,0.1 -Moxifloxacin,350000,nM,IKs,97.2,0.1 -Moxifloxacin,350000,nM,IKs,65.1,0.1 -Moxifloxacin,350000,nM,IKs,100,0.1 -Moxifloxacin,350000,nM,IKs,76.4,0.1 -Moxifloxacin,7000,nM,Kv4.3,0.2,0.1 -Moxifloxacin,7000,nM,Kv4.3,0,0.1 -Moxifloxacin,7000,nM,Kv4.3,0,0.1 -Moxifloxacin,21000,nM,Kv4.3,0.04,0.1 -Moxifloxacin,21000,nM,Kv4.3,1.9,0.1 -Moxifloxacin,21000,nM,Kv4.3,4.6,0.1 -Moxifloxacin,70000,nM,Kv4.3,0,0.1 -Moxifloxacin,70000,nM,Kv4.3,0,0.1 -Moxifloxacin,70000,nM,Kv4.3,0,0.1 -Moxifloxacin,350000,nM,Kv4.3,2,0.1 -Moxifloxacin,350000,nM,Kv4.3,4.3,0.1 -Moxifloxacin,350000,nM,Kv4.3,16.7,0.1 -Moxifloxacin,7000,nM,Late sodium,1.9,0.1 -Moxifloxacin,7000,nM,Late sodium,2,0.1 -Moxifloxacin,7000,nM,Late sodium,1.7,0.1 -Moxifloxacin,21000,nM,Late sodium,8.1,0.1 -Moxifloxacin,21000,nM,Late sodium,0,0.1 -Moxifloxacin,21000,nM,Late sodium,2.8,0.1 -Moxifloxacin,70000,nM,Late sodium,15.9,0.1 -Moxifloxacin,70000,nM,Late sodium,9,0.1 -Moxifloxacin,70000,nM,Late sodium,13.9,0.1 -Moxifloxacin,350000,nM,Late sodium,54.3,0.1 -Moxifloxacin,350000,nM,Late sodium,49.3,0.1 -Moxifloxacin,350000,nM,Late sodium,39.1,0.1 -Moxifloxacin,7000,nM,Peak sodium,2.4,0.1 -Moxifloxacin,7000,nM,Peak sodium,0,0.1 -Moxifloxacin,7000,nM,Peak sodium,0,0.1 -Moxifloxacin,21000,nM,Peak sodium,3.5,0.1 -Moxifloxacin,21000,nM,Peak sodium,0,0.1 -Moxifloxacin,21000,nM,Peak sodium,0,0.1 -Moxifloxacin,70000,nM,Peak sodium,4.6,0.1 -Moxifloxacin,70000,nM,Peak sodium,0,0.1 -Moxifloxacin,70000,nM,Peak sodium,0,0.1 -Moxifloxacin,350000,nM,Peak sodium,28.2,0.1 -Moxifloxacin,350000,nM,Peak sodium,35.1,0.1 -Moxifloxacin,350000,nM,Peak sodium,19.1,0.1 -Moxifloxacin.M2,7000,nM,Calcium,NA,0.1 -Moxifloxacin.M2,7000,nM,Calcium,NA,0.1 -Moxifloxacin.M2,7000,nM,Calcium,NA,0.1 -Moxifloxacin.M2,21000,nM,Calcium,NA,0.1 -Moxifloxacin.M2,21000,nM,Calcium,NA,0.1 -Moxifloxacin.M2,21000,nM,Calcium,NA,0.1 -Moxifloxacin.M2,7000,nM,hERG,8.4,0.1 -Moxifloxacin.M2,7000,nM,hERG,12.7,0.1 -Moxifloxacin.M2,7000,nM,hERG,5.3,0.1 -Moxifloxacin.M2,21000,nM,hERG,23.9,0.1 -Moxifloxacin.M2,21000,nM,hERG,23.3,0.1 -Moxifloxacin.M2,21000,nM,hERG,27.1,0.1 -Moxifloxacin.M2,7000,nM,IKs,NA,0.1 -Moxifloxacin.M2,7000,nM,IKs,NA,0.1 -Moxifloxacin.M2,7000,nM,IKs,NA,0.1 -Moxifloxacin.M2,21000,nM,IKs,NA,0.1 -Moxifloxacin.M2,21000,nM,IKs,NA,0.1 -Moxifloxacin.M2,21000,nM,IKs,NA,0.1 -Nilotinib,60,nM,Calcium,0,0.1 -Nilotinib,60,nM,Calcium,0.8,0.1 -Nilotinib,60,nM,Calcium,1.4,0.1 -Nilotinib,300,nM,Calcium,1.7,0.1 -Nilotinib,300,nM,Calcium,1.8,0.1 -Nilotinib,300,nM,Calcium,2.6,0.1 -Nilotinib,1800,nM,Calcium,2.2,0.1 -Nilotinib,1800,nM,Calcium,1.4,0.1 -Nilotinib,1800,nM,Calcium,2.4,0.1 -Nilotinib,6000,nM,Calcium,16.7,0.1 -Nilotinib,6000,nM,Calcium,8.8,0.1 -Nilotinib,6000,nM,Calcium,5.9,0.1 -Nilotinib,60,nM,hERG,52.1,0.1 -Nilotinib,60,nM,hERG,37.6,0.1 -Nilotinib,60,nM,hERG,31.3,0.1 -Nilotinib,300,nM,hERG,83.4,0.1 -Nilotinib,300,nM,hERG,77.2,0.1 -Nilotinib,300,nM,hERG,65.5,0.1 -Nilotinib,1800,nM,hERG,95.1,0.1 -Nilotinib,1800,nM,hERG,88.9,0.1 -Nilotinib,1800,nM,hERG,84,0.1 -Nilotinib,6000,nM,hERG,100,0.1 -Nilotinib,6000,nM,hERG,100,0.1 -Nilotinib,6000,nM,hERG,95.8,0.1 -Nilotinib,60,nM,IK1,0,0.1 -Nilotinib,60,nM,IK1,0,0.1 -Nilotinib,60,nM,IK1,0,0.1 -Nilotinib,300,nM,IK1,0,0.1 -Nilotinib,300,nM,IK1,0,0.1 -Nilotinib,300,nM,IK1,0,0.1 -Nilotinib,1800,nM,IK1,0,0.1 -Nilotinib,1800,nM,IK1,0,0.1 -Nilotinib,1800,nM,IK1,0,0.1 -Nilotinib,6000,nM,IK1,1.3,0.1 -Nilotinib,6000,nM,IK1,0,0.1 -Nilotinib,6000,nM,IK1,0,0.1 -Nilotinib,60,nM,IKs,1.1,0.1 -Nilotinib,60,nM,IKs,2,0.1 -Nilotinib,60,nM,IKs,1.4,0.1 -Nilotinib,300,nM,IKs,5.4,0.1 -Nilotinib,300,nM,IKs,0.7,0.1 -Nilotinib,300,nM,IKs,0.8,0.1 -Nilotinib,1800,nM,IKs,0,0.1 -Nilotinib,1800,nM,IKs,1.2,0.1 -Nilotinib,1800,nM,IKs,2.9,0.1 -Nilotinib,6000,nM,IKs,15.5,0.1 -Nilotinib,6000,nM,IKs,9,0.1 -Nilotinib,6000,nM,IKs,3.3,0.1 -Nilotinib,60,nM,Kv4.3,0.7,0.1 -Nilotinib,60,nM,Kv4.3,0,0.1 -Nilotinib,60,nM,Kv4.3,0,0.1 -Nilotinib,300,nM,Kv4.3,0.3,0.1 -Nilotinib,300,nM,Kv4.3,0,0.1 -Nilotinib,300,nM,Kv4.3,0,0.1 -Nilotinib,1800,nM,Kv4.3,1.4,0.1 -Nilotinib,1800,nM,Kv4.3,2.8,0.1 -Nilotinib,1800,nM,Kv4.3,0.4,0.1 -Nilotinib,6000,nM,Kv4.3,7.6,0.1 -Nilotinib,6000,nM,Kv4.3,12,0.1 -Nilotinib,6000,nM,Kv4.3,7.2,0.1 -Nilotinib,6000,nM,Kv4.3,1.5,0.1 -Nilotinib,60,nM,Late sodium,0,0.1 -Nilotinib,60,nM,Late sodium,0.8,0.1 -Nilotinib,60,nM,Late sodium,3.4,0.1 -Nilotinib,300,nM,Late sodium,1.2,0.1 -Nilotinib,300,nM,Late sodium,6.7,0.1 -Nilotinib,300,nM,Late sodium,3.3,0.1 -Nilotinib,1800,nM,Late sodium,9.8,0.1 -Nilotinib,1800,nM,Late sodium,16.2,0.1 -Nilotinib,1800,nM,Late sodium,14.8,0.1 -Nilotinib,6000,nM,Late sodium,61.1,0.1 -Nilotinib,6000,nM,Late sodium,48.7,0.1 -Nilotinib,6000,nM,Late sodium,74.4,0.1 -Nilotinib,60,nM,Peak sodium,0,0.1 -Nilotinib,60,nM,Peak sodium,0,0.1 -Nilotinib,60,nM,Peak sodium,0,0.1 -Nilotinib,300,nM,Peak sodium,2.4,0.1 -Nilotinib,300,nM,Peak sodium,0,0.1 -Nilotinib,300,nM,Peak sodium,0.7,0.1 -Nilotinib,1800,nM,Peak sodium,3.5,0.1 -Nilotinib,1800,nM,Peak sodium,0,0.1 -Nilotinib,1800,nM,Peak sodium,0,0.1 -Nilotinib,6000,nM,Peak sodium,13.3,0.1 -Nilotinib,6000,nM,Peak sodium,6,0.1 -Nilotinib,6000,nM,Peak sodium,2.2,0.1 -Ondansetron,200,nM,Calcium,0.3,0.1 -Ondansetron,200,nM,Calcium,5.8,0.1 -Ondansetron,200,nM,Calcium,6.5,0.1 -Ondansetron,200,nM,Calcium,1.3,0.1 -Ondansetron,1000,nM,Calcium,1,0.1 -Ondansetron,1000,nM,Calcium,7.7,0.1 -Ondansetron,1000,nM,Calcium,11.4,0.1 -Ondansetron,4000,nM,Calcium,27.9,0.1 -Ondansetron,4000,nM,Calcium,13.9,0.1 -Ondansetron,4000,nM,Calcium,26.5,0.1 -Ondansetron,20000,nM,Calcium,35.1,0.1 -Ondansetron,20000,nM,Calcium,50.7,0.1 -Ondansetron,20000,nM,Calcium,56.3,0.1 -Ondansetron,200,nM,hERG,10.4,0.1 -Ondansetron,200,nM,hERG,8.5,0.1 -Ondansetron,200,nM,hERG,10,0.1 -Ondansetron,1000,nM,hERG,65.5,0.1 -Ondansetron,1000,nM,hERG,27.7,0.1 -Ondansetron,1000,nM,hERG,37.3,0.1 -Ondansetron,4000,nM,hERG,86.6,0.1 -Ondansetron,4000,nM,hERG,60.6,0.1 -Ondansetron,4000,nM,hERG,63.4,0.1 -Ondansetron,20000,nM,hERG,90.3,0.1 -Ondansetron,20000,nM,hERG,92.5,0.1 -Ondansetron,20000,nM,hERG,93.7,0.1 -Ondansetron,200,nM,IK1,0,0.1 -Ondansetron,200,nM,IK1,0,0.1 -Ondansetron,200,nM,IK1,0,0.1 -Ondansetron,1000,nM,IK1,0,0.1 -Ondansetron,1000,nM,IK1,0,0.1 -Ondansetron,1000,nM,IK1,0,0.1 -Ondansetron,4000,nM,IK1,0,0.1 -Ondansetron,4000,nM,IK1,0,0.1 -Ondansetron,4000,nM,IK1,0,0.1 -Ondansetron,20000,nM,IK1,0.9,0.1 -Ondansetron,20000,nM,IK1,5.6,0.1 -Ondansetron,20000,nM,IK1,2.4,0.1 -Ondansetron,20000,nM,IK1,NA,0.1 -Ondansetron,200,nM,IKs,0,0.1 -Ondansetron,200,nM,IKs,0,0.1 -Ondansetron,200,nM,IKs,0,0.1 -Ondansetron,1000,nM,IKs,0,0.1 -Ondansetron,1000,nM,IKs,0,0.1 -Ondansetron,1000,nM,IKs,3,0.1 -Ondansetron,4000,nM,IKs,4.8,0.1 -Ondansetron,4000,nM,IKs,0.03,0.1 -Ondansetron,4000,nM,IKs,8.5,0.1 -Ondansetron,20000,nM,IKs,10.8,0.1 -Ondansetron,20000,nM,IKs,9.3,0.1 -Ondansetron,20000,nM,IKs,9.7,0.1 -Ondansetron,200,nM,Kv4.3,0,0.1 -Ondansetron,200,nM,Kv4.3,0,0.1 -Ondansetron,200,nM,Kv4.3,0,0.1 -Ondansetron,1000,nM,Kv4.3,0,0.1 -Ondansetron,1000,nM,Kv4.3,0,0.1 -Ondansetron,1000,nM,Kv4.3,0,0.1 -Ondansetron,4000,nM,Kv4.3,0,0.1 -Ondansetron,4000,nM,Kv4.3,0,0.1 -Ondansetron,4000,nM,Kv4.3,1.4,0.1 -Ondansetron,20000,nM,Kv4.3,0.08,0.1 -Ondansetron,20000,nM,Kv4.3,0,0.1 -Ondansetron,20000,nM,Kv4.3,7.9,0.1 -Ondansetron,20000,nM,Kv4.3,0,0.1 -Ondansetron,200,nM,Late sodium,1.8,0.1 -Ondansetron,200,nM,Late sodium,0.7,0.1 -Ondansetron,200,nM,Late sodium,0.3,0.1 -Ondansetron,1000,nM,Late sodium,6,0.1 -Ondansetron,1000,nM,Late sodium,2.4,0.1 -Ondansetron,1000,nM,Late sodium,16.2,0.1 -Ondansetron,4000,nM,Late sodium,13.5,0.1 -Ondansetron,4000,nM,Late sodium,12.8,0.1 -Ondansetron,4000,nM,Late sodium,16.7,0.1 -Ondansetron,20000,nM,Late sodium,58.2,0.1 -Ondansetron,20000,nM,Late sodium,52.3,0.1 -Ondansetron,20000,nM,Late sodium,44.4,0.1 -Ondansetron,200,nM,Peak sodium,0,0.1 -Ondansetron,200,nM,Peak sodium,1.9,0.1 -Ondansetron,200,nM,Peak sodium,0,0.1 -Ondansetron,1000,nM,Peak sodium,5.5,0.1 -Ondansetron,1000,nM,Peak sodium,3,0.1 -Ondansetron,1000,nM,Peak sodium,1.2,0.1 -Ondansetron,4000,nM,Peak sodium,9.4,0.1 -Ondansetron,4000,nM,Peak sodium,2.9,0.1 -Ondansetron,4000,nM,Peak sodium,3.6,0.1 -Ondansetron,20000,nM,Peak sodium,37.5,0.1 -Ondansetron,20000,nM,Peak sodium,45.2,0.1 -Ondansetron,20000,nM,Peak sodium,9.8,0.1 -Ondansetron,20000,nM,Peak sodium,9.3,0.1 -Propafenone,130,nM,Calcium,7.2,0.1 -Propafenone,130,nM,Calcium,8,0.1 -Propafenone,130,nM,Calcium,8.2,0.1 -Propafenone,390,nM,Calcium,26,0.1 -Propafenone,390,nM,Calcium,16.8,0.1 -Propafenone,390,nM,Calcium,20.5,0.1 -Propafenone,1300,nM,Calcium,42.9,0.1 -Propafenone,1300,nM,Calcium,49.1,0.1 -Propafenone,1300,nM,Calcium,58.2,0.1 -Propafenone,6500,nM,Calcium,68.4,0.1 -Propafenone,6500,nM,Calcium,77.6,0.1 -Propafenone,6500,nM,Calcium,79.5,0.1 -Propafenone,130,nM,hERG,17.6,0.1 -Propafenone,130,nM,hERG,26.6,0.1 -Propafenone,130,nM,hERG,27.6,0.1 -Propafenone,390,nM,hERG,32,0.1 -Propafenone,390,nM,hERG,41.3,0.1 -Propafenone,390,nM,hERG,64.7,0.1 -Propafenone,390,nM,hERG,48.8,0.1 -Propafenone,1300,nM,hERG,58.4,0.1 -Propafenone,1300,nM,hERG,69.2,0.1 -Propafenone,1300,nM,hERG,78.9,0.1 -Propafenone,1300,nM,hERG,74.4,0.1 -Propafenone,6500,nM,hERG,87.1,0.1 -Propafenone,6500,nM,hERG,82.4,0.1 -Propafenone,6500,nM,hERG,89.5,0.1 -Propafenone,130,nM,IK1,0,0.1 -Propafenone,130,nM,IK1,0,0.1 -Propafenone,130,nM,IK1,0,0.1 -Propafenone,390,nM,IK1,0,0.1 -Propafenone,390,nM,IK1,0,0.1 -Propafenone,390,nM,IK1,0,0.1 -Propafenone,1300,nM,IK1,0,0.1 -Propafenone,1300,nM,IK1,0,0.1 -Propafenone,1300,nM,IK1,0,0.1 -Propafenone,6500,nM,IK1,5.3,0.1 -Propafenone,6500,nM,IK1,3.8,0.1 -Propafenone,6500,nM,IK1,1.1,0.1 -Propafenone,130,nM,IKs,0.1,0.1 -Propafenone,130,nM,IKs,1,0.1 -Propafenone,130,nM,IKs,0.5,0.1 -Propafenone,390,nM,IKs,0,0.1 -Propafenone,390,nM,IKs,2,0.1 -Propafenone,390,nM,IKs,3,0.1 -Propafenone,1300,nM,IKs,0.3,0.1 -Propafenone,1300,nM,IKs,3.2,0.1 -Propafenone,1300,nM,IKs,7.2,0.1 -Propafenone,6500,nM,IKs,19.9,0.1 -Propafenone,6500,nM,IKs,18.4,0.1 -Propafenone,6500,nM,IKs,34.3,0.1 -Propafenone,130,nM,Kv4.3,0,0.1 -Propafenone,130,nM,Kv4.3,0.6,0.1 -Propafenone,130,nM,Kv4.3,1.3,0.1 -Propafenone,390,nM,Kv4.3,0,0.1 -Propafenone,390,nM,Kv4.3,0,0.1 -Propafenone,390,nM,Kv4.3,1.2,0.1 -Propafenone,1300,nM,Kv4.3,5,0.1 -Propafenone,1300,nM,Kv4.3,15.1,0.1 -Propafenone,1300,nM,Kv4.3,8.9,0.1 -Propafenone,6500,nM,Kv4.3,18.8,0.1 -Propafenone,6500,nM,Kv4.3,28.3,0.1 -Propafenone,6500,nM,Kv4.3,15.7,0.1 -Propafenone,130,nM,Late sodium,4.4,0.1 -Propafenone,130,nM,Late sodium,0.6,0.1 -Propafenone,130,nM,Late sodium,0,0.1 -Propafenone,390,nM,Late sodium,12.1,0.1 -Propafenone,390,nM,Late sodium,3.2,0.1 -Propafenone,390,nM,Late sodium,6.4,0.1 -Propafenone,1300,nM,Late sodium,34.2,0.1 -Propafenone,1300,nM,Late sodium,27.4,0.1 -Propafenone,1300,nM,Late sodium,36.9,0.1 -Propafenone,6500,nM,Late sodium,57.5,0.1 -Propafenone,6500,nM,Late sodium,42.9,0.1 -Propafenone,6500,nM,Late sodium,55.5,0.1 -Propafenone,6500,nM,Late sodium,78.3,0.1 -Propafenone,130,nM,Peak sodium,0,0.1 -Propafenone,130,nM,Peak sodium,1.4,0.1 -Propafenone,130,nM,Peak sodium,0.6,0.1 -Propafenone,390,nM,Peak sodium,2.5,0.1 -Propafenone,390,nM,Peak sodium,15.1,0.1 -Propafenone,390,nM,Peak sodium,5.1,0.1 -Propafenone,1300,nM,Peak sodium,21.2,0.1 -Propafenone,1300,nM,Peak sodium,38.8,0.1 -Propafenone,1300,nM,Peak sodium,32.4,0.1 -Propafenone,6500,nM,Peak sodium,59.6,0.1 -Propafenone,6500,nM,Peak sodium,67.7,0.1 -Propafenone,6500,nM,Peak sodium,52.7,0.1 -Quinidine,300,nM,Calcium,3.2,0.1 -Quinidine,300,nM,Calcium,3.4,0.1 -Quinidine,300,nM,Calcium,0.09,0.1 -Quinidine,900,nM,Calcium,9.4,0.1 -Quinidine,900,nM,Calcium,10.6,0.1 -Quinidine,900,nM,Calcium,10.3,0.1 -Quinidine,2700,nM,Calcium,15.1,0.1 -Quinidine,2700,nM,Calcium,15.8,0.1 -Quinidine,2700,nM,Calcium,16.3,0.1 -Quinidine,5400,nM,Calcium,23.2,0.1 -Quinidine,5400,nM,Calcium,18.2,0.1 -Quinidine,5400,nM,Calcium,19.1,0.1 -Quinidine,300,nM,hERG,47.6,0.1 -Quinidine,300,nM,hERG,37.9,0.1 -Quinidine,300,nM,hERG,50.4,0.1 -Quinidine,900,nM,hERG,86.7,0.1 -Quinidine,900,nM,hERG,71.6,0.1 -Quinidine,900,nM,hERG,68.2,0.1 -Quinidine,2700,nM,hERG,97.1,0.1 -Quinidine,2700,nM,hERG,85.2,0.1 -Quinidine,2700,nM,hERG,83.6,0.1 -Quinidine,5400,nM,hERG,100,0.1 -Quinidine,5400,nM,hERG,89.3,0.1 -Quinidine,5400,nM,hERG,85.1,0.1 -Quinidine,300,nM,IK1,0,0.1 -Quinidine,300,nM,IK1,0,0.1 -Quinidine,300,nM,IK1,5.2,0.1 -Quinidine,900,nM,IK1,0,0.1 -Quinidine,900,nM,IK1,11,0.1 -Quinidine,900,nM,IK1,0,0.1 -Quinidine,2700,nM,IK1,0,0.1 -Quinidine,2700,nM,IK1,0,0.1 -Quinidine,2700,nM,IK1,3,0.1 -Quinidine,5400,nM,IK1,0.4,0.1 -Quinidine,5400,nM,IK1,3.9,0.1 -Quinidine,5400,nM,IK1,12.5,0.1 -Quinidine,300,nM,IKs,0,0.1 -Quinidine,300,nM,IKs,0,0.1 -Quinidine,300,nM,IKs,6.2,0.1 -Quinidine,900,nM,IKs,13.1,0.1 -Quinidine,900,nM,IKs,11,0.1 -Quinidine,900,nM,IKs,15.7,0.1 -Quinidine,2700,nM,IKs,25.1,0.1 -Quinidine,2700,nM,IKs,33.8,0.1 -Quinidine,2700,nM,IKs,20.8,0.1 -Quinidine,5400,nM,IKs,48.9,0.1 -Quinidine,5400,nM,IKs,49.2,0.1 -Quinidine,5400,nM,IKs,68.4,0.1 -Quinidine,300,nM,Kv4.3,9.7,0.1 -Quinidine,300,nM,Kv4.3,4.7,0.1 -Quinidine,300,nM,Kv4.3,3.3,0.1 -Quinidine,900,nM,Kv4.3,12.4,0.1 -Quinidine,900,nM,Kv4.3,13.6,0.1 -Quinidine,900,nM,Kv4.3,17.6,0.1 -Quinidine,2700,nM,Kv4.3,31.7,0.1 -Quinidine,2700,nM,Kv4.3,50,0.1 -Quinidine,2700,nM,Kv4.3,42.1,0.1 -Quinidine,5400,nM,Kv4.3,63.1,0.1 -Quinidine,5400,nM,Kv4.3,69.3,0.1 -Quinidine,5400,nM,Kv4.3,60.3,0.1 -Quinidine,300,nM,Late sodium,1.3,0.1 -Quinidine,300,nM,Late sodium,5.6,0.1 -Quinidine,300,nM,Late sodium,3.6,0.1 -Quinidine,900,nM,Late sodium,0,0.1 -Quinidine,900,nM,Late sodium,1.6,0.1 -Quinidine,900,nM,Late sodium,3.1,0.1 -Quinidine,2700,nM,Late sodium,13.7,0.1 -Quinidine,2700,nM,Late sodium,19.7,0.1 -Quinidine,2700,nM,Late sodium,17.8,0.1 -Quinidine,5400,nM,Late sodium,27.7,0.1 -Quinidine,5400,nM,Late sodium,34.3,0.1 -Quinidine,5400,nM,Late sodium,33.5,0.1 -Quinidine,300,nM,Peak sodium,0.3,0.1 -Quinidine,300,nM,Peak sodium,0,0.1 -Quinidine,300,nM,Peak sodium,0,0.1 -Quinidine,900,nM,Peak sodium,0,0.1 -Quinidine,900,nM,Peak sodium,0.3,0.1 -Quinidine,900,nM,Peak sodium,2,0.1 -Quinidine,2700,nM,Peak sodium,4.2,0.1 -Quinidine,2700,nM,Peak sodium,11.2,0.1 -Quinidine,2700,nM,Peak sodium,15,0.1 -Quinidine,5400,nM,Peak sodium,26.5,0.1 -Quinidine,5400,nM,Peak sodium,16.4,0.1 -Quinidine,5400,nM,Peak sodium,24.1,0.1 -Quinine,4000,nM,Calcium,18.1,0.1 -Quinine,4000,nM,Calcium,15.8,0.1 -Quinine,4000,nM,Calcium,12.7,0.1 -Quinine,12000,nM,Calcium,30.7,0.1 -Quinine,12000,nM,Calcium,37,0.1 -Quinine,12000,nM,Calcium,18.2,0.1 -Quinine,40000,nM,Calcium,63.4,0.1 -Quinine,40000,nM,Calcium,61.4,0.1 -Quinine,40000,nM,Calcium,52.1,0.1 -Quinine,2e+05,nM,Calcium,94.1,0.1 -Quinine,2e+05,nM,Calcium,87.6,0.1 -Quinine,2e+05,nM,Calcium,89.4,0.1 -Quinine,4000,nM,hERG,40.1,0.1 -Quinine,4000,nM,hERG,46.7,0.1 -Quinine,4000,nM,hERG,40.3,0.1 -Quinine,12000,nM,hERG,74.5,0.1 -Quinine,12000,nM,hERG,76.9,0.1 -Quinine,12000,nM,hERG,65.1,0.1 -Quinine,40000,nM,hERG,92.2,0.1 -Quinine,40000,nM,hERG,93,0.1 -Quinine,40000,nM,hERG,74.4,0.1 -Quinine,2e+05,nM,hERG,97,0.1 -Quinine,2e+05,nM,hERG,98.2,0.1 -Quinine,2e+05,nM,hERG,89.2,0.1 -Quinine,4000,nM,IK1,0,0.1 -Quinine,4000,nM,IK1,0,0.1 -Quinine,4000,nM,IK1,0,0.1 -Quinine,12000,nM,IK1,0,0.1 -Quinine,12000,nM,IK1,0,0.1 -Quinine,12000,nM,IK1,0,0.1 -Quinine,40000,nM,IK1,0,0.1 -Quinine,40000,nM,IK1,1.3,0.1 -Quinine,40000,nM,IK1,0,0.1 -Quinine,2e+05,nM,IK1,6.8,0.1 -Quinine,2e+05,nM,IK1,4.2,0.1 -Quinine,2e+05,nM,IK1,0,0.1 -Quinine,4000,nM,IKs,6.5,0.1 -Quinine,4000,nM,IKs,5.7,0.1 -Quinine,4000,nM,IKs,21.3,0.1 -Quinine,12000,nM,IKs,22.8,0.1 -Quinine,12000,nM,IKs,15.3,0.1 -Quinine,12000,nM,IKs,21.6,0.1 -Quinine,40000,nM,IKs,39.4,0.1 -Quinine,40000,nM,IKs,69.1,0.1 -Quinine,40000,nM,IKs,51.5,0.1 -Quinine,2e+05,nM,IKs,78.7,0.1 -Quinine,2e+05,nM,IKs,75.5,0.1 -Quinine,2e+05,nM,IKs,96.6,0.1 -Quinine,2e+05,nM,IKs,89.9,0.1 -Quinine,4000,nM,Kv4.3,8.1,0.1 -Quinine,4000,nM,Kv4.3,5.6,0.1 -Quinine,4000,nM,Kv4.3,3.6,0.1 -Quinine,12000,nM,Kv4.3,19.3,0.1 -Quinine,12000,nM,Kv4.3,12.7,0.1 -Quinine,12000,nM,Kv4.3,13.1,0.1 -Quinine,40000,nM,Kv4.3,23.8,0.1 -Quinine,40000,nM,Kv4.3,37.1,0.1 -Quinine,40000,nM,Kv4.3,31,0.1 -Quinine,40000,nM,Kv4.3,41.4,0.1 -Quinine,2e+05,nM,Kv4.3,66.7,0.1 -Quinine,2e+05,nM,Kv4.3,67.8,0.1 -Quinine,2e+05,nM,Kv4.3,66.2,0.1 -Quinine,2e+05,nM,Kv4.3,78.5,0.1 -Quinine,2e+05,nM,Kv4.3,76.7,0.1 -Quinine,4000,nM,Late sodium,44.9,0.1 -Quinine,4000,nM,Late sodium,44.8,0.1 -Quinine,4000,nM,Late sodium,54.6,0.1 -Quinine,12000,nM,Late sodium,46.8,0.1 -Quinine,12000,nM,Late sodium,52.7,0.1 -Quinine,12000,nM,Late sodium,30,0.1 -Quinine,40000,nM,Late sodium,30.3,0.1 -Quinine,40000,nM,Late sodium,59.6,0.1 -Quinine,40000,nM,Late sodium,79.6,0.1 -Quinine,2e+05,nM,Late sodium,81.6,0.1 -Quinine,2e+05,nM,Late sodium,79.8,0.1 -Quinine,2e+05,nM,Late sodium,87.6,0.1 -Quinine,2e+05,nM,Late sodium,79.7,0.1 -Quinine,4000,nM,Peak sodium,26.8,0.1 -Quinine,4000,nM,Peak sodium,6.7,0.1 -Quinine,4000,nM,Peak sodium,12.4,0.1 -Quinine,12000,nM,Peak sodium,36.6,0.1 -Quinine,12000,nM,Peak sodium,13.6,0.1 -Quinine,12000,nM,Peak sodium,34.4,0.1 -Quinine,40000,nM,Peak sodium,62,0.1 -Quinine,40000,nM,Peak sodium,60.7,0.1 -Quinine,40000,nM,Peak sodium,73.2,0.1 -Quinine,2e+05,nM,Peak sodium,88.6,0.1 -Quinine,2e+05,nM,Peak sodium,100,0.1 -Quinine,2e+05,nM,Peak sodium,84.4,0.1 -Ranolazine,575,nM,Calcium,0,0.1 -Ranolazine,575,nM,Calcium,0,0.1 -Ranolazine,575,nM,Calcium,0,0.1 -Ranolazine,2300,nM,Calcium,0,0.1 -Ranolazine,2300,nM,Calcium,0,0.1 -Ranolazine,2300,nM,Calcium,0,0.1 -Ranolazine,6900,nM,Calcium,0,0.1 -Ranolazine,6900,nM,Calcium,0,0.1 -Ranolazine,6900,nM,Calcium,0,0.1 -Ranolazine,23000,nM,Calcium,6.8,0.1 -Ranolazine,23000,nM,Calcium,0.6,0.1 -Ranolazine,23000,nM,Calcium,0,0.1 -Ranolazine,575,nM,hERG,6.5,0.1 -Ranolazine,575,nM,hERG,5.7,0.1 -Ranolazine,575,nM,hERG,2.5,0.1 -Ranolazine,575,nM,hERG,4.2,0.1 -Ranolazine,2300,nM,hERG,39.8,0.1 -Ranolazine,2300,nM,hERG,38.5,0.1 -Ranolazine,2300,nM,hERG,28.1,0.1 -Ranolazine,6900,nM,hERG,42.9,0.1 -Ranolazine,6900,nM,hERG,55.9,0.1 -Ranolazine,6900,nM,hERG,61.9,0.1 -Ranolazine,23000,nM,hERG,64.5,0.1 -Ranolazine,23000,nM,hERG,74.6,0.1 -Ranolazine,23000,nM,hERG,70.3,0.1 -Ranolazine,575,nM,IK1,0,0.1 -Ranolazine,575,nM,IK1,0.4,0.1 -Ranolazine,575,nM,IK1,1.2,0.1 -Ranolazine,2300,nM,IK1,0,0.1 -Ranolazine,2300,nM,IK1,3,0.1 -Ranolazine,2300,nM,IK1,0,0.1 -Ranolazine,6900,nM,IK1,0,0.1 -Ranolazine,6900,nM,IK1,6.2,0.1 -Ranolazine,6900,nM,IK1,0,0.1 -Ranolazine,23000,nM,IK1,0,0.1 -Ranolazine,23000,nM,IK1,0.8,0.1 -Ranolazine,23000,nM,IK1,0,0.1 -Ranolazine,575,nM,IKs,0.7,0.1 -Ranolazine,575,nM,IKs,0,0.1 -Ranolazine,575,nM,IKs,0,0.1 -Ranolazine,2300,nM,IKs,1,0.1 -Ranolazine,2300,nM,IKs,0,0.1 -Ranolazine,2300,nM,IKs,0.8,0.1 -Ranolazine,6900,nM,IKs,3,0.1 -Ranolazine,6900,nM,IKs,0,0.1 -Ranolazine,6900,nM,IKs,0.9,0.1 -Ranolazine,23000,nM,IKs,2.5,0.1 -Ranolazine,23000,nM,IKs,0,0.1 -Ranolazine,23000,nM,IKs,3.8,0.1 -Ranolazine,575,nM,Kv4.3,NA,0.1 -Ranolazine,575,nM,Kv4.3,NA,0.1 -Ranolazine,575,nM,Kv4.3,NA,0.1 -Ranolazine,2300,nM,Kv4.3,1.2,0.1 -Ranolazine,2300,nM,Kv4.3,9,0.1 -Ranolazine,2300,nM,Kv4.3,8,0.1 -Ranolazine,6900,nM,Kv4.3,15.7,0.1 -Ranolazine,6900,nM,Kv4.3,5.2,0.1 -Ranolazine,6900,nM,Kv4.3,6.9,0.1 -Ranolazine,23000,nM,Kv4.3,9.3,0.1 -Ranolazine,23000,nM,Kv4.3,11.4,0.1 -Ranolazine,23000,nM,Kv4.3,13.7,0.1 -Ranolazine,69000,nM,Kv4.3,25.2,0.1 -Ranolazine,69000,nM,Kv4.3,28.8,0.1 -Ranolazine,69000,nM,Kv4.3,25.4,0.1 -Ranolazine,575,nM,Late sodium,6,0.1 -Ranolazine,575,nM,Late sodium,7.1,0.1 -Ranolazine,575,nM,Late sodium,4.5,0.1 -Ranolazine,2300,nM,Late sodium,18.8,0.1 -Ranolazine,2300,nM,Late sodium,23.9,0.1 -Ranolazine,2300,nM,Late sodium,30.1,0.1 -Ranolazine,6900,nM,Late sodium,36.5,0.1 -Ranolazine,6900,nM,Late sodium,58.4,0.1 -Ranolazine,6900,nM,Late sodium,48.7,0.1 -Ranolazine,23000,nM,Late sodium,58.9,0.1 -Ranolazine,23000,nM,Late sodium,79.7,0.1 -Ranolazine,23000,nM,Late sodium,78.3,0.1 -Ranolazine,575,nM,Peak sodium,0,0.1 -Ranolazine,575,nM,Peak sodium,0,0.1 -Ranolazine,575,nM,Peak sodium,1.2,0.1 -Ranolazine,2300,nM,Peak sodium,0,0.1 -Ranolazine,2300,nM,Peak sodium,0,0.1 -Ranolazine,2300,nM,Peak sodium,2.9,0.1 -Ranolazine,6900,nM,Peak sodium,0,0.1 -Ranolazine,6900,nM,Peak sodium,4.4,0.1 -Ranolazine,6900,nM,Peak sodium,6.2,0.1 -Ranolazine,23000,nM,Peak sodium,13.2,0.1 -Ranolazine,23000,nM,Peak sodium,10,0.1 -Ranolazine,23000,nM,Peak sodium,28.9,0.1 -Ritonavir,400,nM,Calcium,0.6,0.1 -Ritonavir,400,nM,Calcium,0,0.1 -Ritonavir,400,nM,Calcium,2.4,0.1 -Ritonavir,1200,nM,Calcium,14.2,0.1 -Ritonavir,1200,nM,Calcium,9.6,0.1 -Ritonavir,1200,nM,Calcium,12.9,0.1 -Ritonavir,4000,nM,Calcium,25.1,0.1 -Ritonavir,4000,nM,Calcium,21.4,0.1 -Ritonavir,4000,nM,Calcium,32.8,0.1 -Ritonavir,20000,nM,Calcium,69.9,0.1 -Ritonavir,20000,nM,Calcium,76.3,0.1 -Ritonavir,20000,nM,Calcium,83,0.1 -Ritonavir,400,nM,hERG,5.6,0.1 -Ritonavir,400,nM,hERG,7.4,0.1 -Ritonavir,400,nM,hERG,10.3,0.1 -Ritonavir,1200,nM,hERG,13.9,0.1 -Ritonavir,1200,nM,hERG,12.2,0.1 -Ritonavir,1200,nM,hERG,18,0.1 -Ritonavir,4000,nM,hERG,52.2,0.1 -Ritonavir,4000,nM,hERG,31.7,0.1 -Ritonavir,4000,nM,hERG,39.5,0.1 -Ritonavir,4000,nM,hERG,60.7,0.1 -Ritonavir,20000,nM,hERG,78.7,0.1 -Ritonavir,20000,nM,hERG,84.1,0.1 -Ritonavir,20000,nM,hERG,68.5,0.1 -Ritonavir,20000,nM,hERG,82.6,0.1 -Ritonavir,400,nM,IK1,9.9,0.1 -Ritonavir,400,nM,IK1,0,0.1 -Ritonavir,400,nM,IK1,1.5,0.1 -Ritonavir,1200,nM,IK1,0,0.1 -Ritonavir,1200,nM,IK1,27.3,0.1 -Ritonavir,1200,nM,IK1,0,0.1 -Ritonavir,4000,nM,IK1,0,0.1 -Ritonavir,4000,nM,IK1,13,0.1 -Ritonavir,4000,nM,IK1,0,0.1 -Ritonavir,20000,nM,IK1,0,0.1 -Ritonavir,20000,nM,IK1,0,0.1 -Ritonavir,20000,nM,IK1,0,0.1 -Ritonavir,400,nM,IKs,6.1,0.1 -Ritonavir,400,nM,IKs,0,0.1 -Ritonavir,400,nM,IKs,0,0.1 -Ritonavir,400,nM,IKs,6.7,0.1 -Ritonavir,400,nM,IKs,0,0.1 -Ritonavir,1200,nM,IKs,10,0.1 -Ritonavir,1200,nM,IKs,1.2,0.1 -Ritonavir,1200,nM,IKs,0,0.1 -Ritonavir,1200,nM,IKs,0,0.1 -Ritonavir,4000,nM,IKs,18.7,0.1 -Ritonavir,4000,nM,IKs,0,0.1 -Ritonavir,4000,nM,IKs,0,0.1 -Ritonavir,20000,nM,IKs,24.5,0.1 -Ritonavir,20000,nM,IKs,24.1,0.1 -Ritonavir,20000,nM,IKs,5.8,0.1 -Ritonavir,400,nM,Kv4.3,0,0.1 -Ritonavir,400,nM,Kv4.3,3.2,0.1 -Ritonavir,400,nM,Kv4.3,0.8,0.1 -Ritonavir,1200,nM,Kv4.3,15,0.1 -Ritonavir,1200,nM,Kv4.3,8.1,0.1 -Ritonavir,1200,nM,Kv4.3,6.6,0.1 -Ritonavir,4000,nM,Kv4.3,1.1,0.1 -Ritonavir,4000,nM,Kv4.3,13.9,0.1 -Ritonavir,4000,nM,Kv4.3,7.2,0.1 -Ritonavir,20000,nM,Kv4.3,20.2,0.1 -Ritonavir,20000,nM,Kv4.3,19.7,0.1 -Ritonavir,20000,nM,Kv4.3,17.6,0.1 -Ritonavir,400,nM,Late sodium,0,0.1 -Ritonavir,400,nM,Late sodium,3.8,0.1 -Ritonavir,400,nM,Late sodium,1.5,0.1 -Ritonavir,1200,nM,Late sodium,20.7,0.1 -Ritonavir,1200,nM,Late sodium,25.6,0.1 -Ritonavir,1200,nM,Late sodium,31.1,0.1 -Ritonavir,4000,nM,Late sodium,44.9,0.1 -Ritonavir,4000,nM,Late sodium,55.5,0.1 -Ritonavir,4000,nM,Late sodium,44,0.1 -Ritonavir,20000,nM,Late sodium,45.5,0.1 -Ritonavir,20000,nM,Late sodium,63.5,0.1 -Ritonavir,20000,nM,Late sodium,58.7,0.1 -Ritonavir,20000,nM,Late sodium,82.1,0.1 -Ritonavir,400,nM,Peak sodium,2.3,0.1 -Ritonavir,400,nM,Peak sodium,0,0.1 -Ritonavir,400,nM,Peak sodium,0,0.1 -Ritonavir,1200,nM,Peak sodium,16.8,0.1 -Ritonavir,1200,nM,Peak sodium,16.1,0.1 -Ritonavir,1200,nM,Peak sodium,12.9,0.1 -Ritonavir,4000,nM,Peak sodium,24.4,0.1 -Ritonavir,4000,nM,Peak sodium,28.2,0.1 -Ritonavir,4000,nM,Peak sodium,26.2,0.1 -Ritonavir,4000,nM,Peak sodium,31.8,0.1 -Ritonavir,4000,nM,Peak sodium,35.5,0.1 -Ritonavir,20000,nM,Peak sodium,41.4,0.1 -Ritonavir,20000,nM,Peak sodium,30,0.1 -Ritonavir,20000,nM,Peak sodium,47.2,0.1 -Ritonavir,20000,nM,Peak sodium,48.2,0.1 -Rufinamide,80000,nM,Calcium,24.9,0.1 -Rufinamide,80000,nM,Calcium,27.3,0.1 -Rufinamide,80000,nM,Calcium,21.7,0.1 -Rufinamide,240000,nM,Calcium,51.1,0.1 -Rufinamide,240000,nM,Calcium,47.1,0.1 -Rufinamide,240000,nM,Calcium,45,0.1 -Rufinamide,80000,nM,hERG,0,0.1 -Rufinamide,80000,nM,hERG,3.9,0.1 -Rufinamide,80000,nM,hERG,0,0.1 -Rufinamide,240000,nM,hERG,2.7,0.1 -Rufinamide,240000,nM,hERG,0,0.1 -Rufinamide,240000,nM,hERG,0,0.1 -Rufinamide,80000,nM,IK1,0,0.1 -Rufinamide,80000,nM,IK1,0,0.1 -Rufinamide,80000,nM,IK1,0,0.1 -Rufinamide,240000,nM,IK1,0,0.1 -Rufinamide,240000,nM,IK1,0,0.1 -Rufinamide,240000,nM,IK1,0,0.1 -Rufinamide,80000,nM,IKs,0.4,0.1 -Rufinamide,80000,nM,IKs,0.2,0.1 -Rufinamide,80000,nM,IKs,1.7,0.1 -Rufinamide,240000,nM,IKs,1.3,0.1 -Rufinamide,240000,nM,IKs,0,0.1 -Rufinamide,240000,nM,IKs,0,0.1 -Rufinamide,240000,nM,IKs,4.8,0.1 -Rufinamide,80000,nM,Kv4.3,0,0.1 -Rufinamide,80000,nM,Kv4.3,0,0.1 -Rufinamide,80000,nM,Kv4.3,0.2,0.1 -Rufinamide,240000,nM,Kv4.3,0,0.1 -Rufinamide,240000,nM,Kv4.3,1.3,0.1 -Rufinamide,240000,nM,Kv4.3,3.5,0.1 -Rufinamide,80000,nM,Late sodium,0,0.1 -Rufinamide,80000,nM,Late sodium,8.2,0.1 -Rufinamide,80000,nM,Late sodium,0,0.1 -Rufinamide,240000,nM,Late sodium,13.2,0.1 -Rufinamide,240000,nM,Late sodium,10.2,0.1 -Rufinamide,240000,nM,Late sodium,10.4,0.1 -Rufinamide,80000,nM,Peak sodium,0.9,0.1 -Rufinamide,80000,nM,Peak sodium,0,0.1 -Rufinamide,80000,nM,Peak sodium,0,0.1 -Rufinamide,240000,nM,Peak sodium,2,0.1 -Rufinamide,240000,nM,Peak sodium,1.8,0.1 -Rufinamide,240000,nM,Peak sodium,13.4,0.1 -Saquinavir,400,nM,Kv4.3,0,0.1 -Saquinavir,400,nM,Kv4.3,2,0.1 -Saquinavir,400,nM,Kv4.3,0,0.1 -Saquinavir,1200,nM,Kv4.3,0,0.1 -Saquinavir,1200,nM,Kv4.3,0.4,0.1 -Saquinavir,1200,nM,Kv4.3,10.7,0.1 -Saquinavir,4000,nM,Kv4.3,0,0.1 -Saquinavir,4000,nM,Kv4.3,0,0.1 -Saquinavir,4000,nM,Kv4.3,0.07,0.1 -Saquinavir,20000,nM,Kv4.3,0,0.1 -Saquinavir,20000,nM,Kv4.3,0,0.1 -Saquinavir,20000,nM,Kv4.3,8.3,0.1 -Saquinavir,20000,nM,Kv4.3,0,0.1 -Saquinavir,20000,nM,Kv4.3,4.2,0.1 -Saquinavir,400,nM,Late sodium,0.7,0.1 -Saquinavir,400,nM,Late sodium,4.2,0.1 -Saquinavir,400,nM,Late sodium,2.3,0.1 -Saquinavir,1200,nM,Late sodium,4.3,0.1 -Saquinavir,1200,nM,Late sodium,0,0.1 -Saquinavir,1200,nM,Late sodium,0,0.1 -Saquinavir,4000,nM,Late sodium,44.2,0.1 -Saquinavir,4000,nM,Late sodium,36.7,0.1 -Saquinavir,4000,nM,Late sodium,39.7,0.1 -Saquinavir,20000,nM,Late sodium,78.1,0.1 -Saquinavir,20000,nM,Late sodium,64.1,0.1 -Saquinavir,20000,nM,Late sodium,79.8,0.1 -Saquinavir,400,nM,Calcium,6.9,0.1 -Saquinavir,400,nM,Calcium,0,0.1 -Saquinavir,400,nM,Calcium,6.7,0.1 -Saquinavir,1200,nM,Calcium,13.5,0.1 -Saquinavir,1200,nM,Calcium,14.1,0.1 -Saquinavir,1200,nM,Calcium,24.9,0.1 -Saquinavir,4000,nM,Calcium,68.9,0.1 -Saquinavir,4000,nM,Calcium,50.7,0.1 -Saquinavir,4000,nM,Calcium,65.4,0.1 -Saquinavir,20000,nM,Calcium,90.8,0.1 -Saquinavir,20000,nM,Calcium,87.4,0.1 -Saquinavir,20000,nM,Calcium,84.2,0.1 -Saquinavir,400,nM,hERG,7.1,0.1 -Saquinavir,400,nM,hERG,18.4,0.1 -Saquinavir,400,nM,hERG,12.7,0.1 -Saquinavir,1200,nM,hERG,24.2,0.1 -Saquinavir,1200,nM,hERG,28.1,0.1 -Saquinavir,1200,nM,hERG,16.9,0.1 -Saquinavir,1200,nM,hERG,25.9,0.1 -Saquinavir,4000,nM,hERG,69,0.1 -Saquinavir,4000,nM,hERG,47.9,0.1 -Saquinavir,4000,nM,hERG,66.5,0.1 -Saquinavir,4000,nM,hERG,39.4,0.1 -Saquinavir,20000,nM,hERG,86.8,0.1 -Saquinavir,20000,nM,hERG,85.2,0.1 -Saquinavir,20000,nM,hERG,95,0.1 -Saquinavir,20000,nM,hERG,64.6,0.1 -Saquinavir,400,nM,IK1,0,0.1 -Saquinavir,400,nM,IK1,0,0.1 -Saquinavir,400,nM,IK1,0,0.1 -Saquinavir,1200,nM,IK1,0,0.1 -Saquinavir,1200,nM,IK1,0,0.1 -Saquinavir,1200,nM,IK1,0,0.1 -Saquinavir,4000,nM,IK1,1.6,0.1 -Saquinavir,4000,nM,IK1,0,0.1 -Saquinavir,4000,nM,IK1,0.5,0.1 -Saquinavir,20000,nM,IK1,5.1,0.1 -Saquinavir,20000,nM,IK1,0,0.1 -Saquinavir,20000,nM,IK1,4.3,0.1 -Saquinavir,400,nM,IKs,0,0.1 -Saquinavir,400,nM,IKs,2.6,0.1 -Saquinavir,400,nM,IKs,0,0.1 -Saquinavir,1200,nM,IKs,0,0.1 -Saquinavir,1200,nM,IKs,2.7,0.1 -Saquinavir,1200,nM,IKs,0,0.1 -Saquinavir,4000,nM,IKs,0,0.1 -Saquinavir,4000,nM,IKs,1.8,0.1 -Saquinavir,4000,nM,IKs,0,0.1 -Saquinavir,20000,nM,IKs,12.2,0.1 -Saquinavir,20000,nM,IKs,22.4,0.1 -Saquinavir,20000,nM,IKs,11.8,0.1 -Saquinavir,400,nM,Peak sodium,1.1,0.1 -Saquinavir,400,nM,Peak sodium,0,0.1 -Saquinavir,400,nM,Peak sodium,2.6,0.1 -Saquinavir,1200,nM,Peak sodium,2,0.1 -Saquinavir,1200,nM,Peak sodium,1.5,0.1 -Saquinavir,1200,nM,Peak sodium,4.2,0.1 -Saquinavir,4000,nM,Peak sodium,12.1,0.1 -Saquinavir,4000,nM,Peak sodium,26.3,0.1 -Saquinavir,4000,nM,Peak sodium,12,0.1 -Saquinavir,20000,nM,Peak sodium,44.4,0.1 -Saquinavir,20000,nM,Peak sodium,84.1,0.1 -Saquinavir,20000,nM,Peak sodium,43.7,0.1 -Sertindole,1.5,nM,Kv4.3,0,0.1 -Sertindole,1.5,nM,Kv4.3,2.1,0.1 -Sertindole,1.5,nM,Kv4.3,2,0.1 -Sertindole,4.5,nM,Kv4.3,0,0.1 -Sertindole,4.5,nM,Kv4.3,0,0.1 -Sertindole,4.5,nM,Kv4.3,2.9,0.1 -Sertindole,15,nM,Kv4.3,0,0.1 -Sertindole,15,nM,Kv4.3,2,0.1 -Sertindole,15,nM,Kv4.3,1.4,0.1 -Sertindole,75,nM,Kv4.3,0,0.1 -Sertindole,75,nM,Kv4.3,3.7,0.1 -Sertindole,75,nM,Kv4.3,2.1,0.1 -Sertindole,1.5,nM,Late sodium,5.4,0.1 -Sertindole,1.5,nM,Late sodium,0,0.1 -Sertindole,1.5,nM,Late sodium,0,0.1 -Sertindole,4.5,nM,Late sodium,0,0.1 -Sertindole,4.5,nM,Late sodium,0,0.1 -Sertindole,4.5,nM,Late sodium,0,0.1 -Sertindole,15,nM,Late sodium,0,0.1 -Sertindole,15,nM,Late sodium,0,0.1 -Sertindole,15,nM,Late sodium,0,0.1 -Sertindole,75,nM,Late sodium,0,0.1 -Sertindole,75,nM,Late sodium,0,0.1 -Sertindole,75,nM,Late sodium,0,0.1 -Sertindole,1.5,nM,Calcium,1.3,0.1 -Sertindole,1.5,nM,Calcium,0.3,0.1 -Sertindole,1.5,nM,Calcium,0,0.1 -Sertindole,4.5,nM,Calcium,2,0.1 -Sertindole,4.5,nM,Calcium,2.5,0.1 -Sertindole,4.5,nM,Calcium,0,0.1 -Sertindole,15,nM,Calcium,3.5,0.1 -Sertindole,15,nM,Calcium,4.4,0.1 -Sertindole,15,nM,Calcium,4.4,0.1 -Sertindole,75,nM,Calcium,5.3,0.1 -Sertindole,75,nM,Calcium,8.2,0.1 -Sertindole,75,nM,Calcium,6.1,0.1 -Sertindole,1.5,nM,hERG,7.2,0.1 -Sertindole,1.5,nM,hERG,15.7,0.1 -Sertindole,1.5,nM,hERG,24.3,0.1 -Sertindole,4.5,nM,hERG,27.1,0.1 -Sertindole,4.5,nM,hERG,35,0.1 -Sertindole,4.5,nM,hERG,38.6,0.1 -Sertindole,15,nM,hERG,47.6,0.1 -Sertindole,15,nM,hERG,51.3,0.1 -Sertindole,15,nM,hERG,62.8,0.1 -Sertindole,75,nM,hERG,77.4,0.1 -Sertindole,75,nM,hERG,83.7,0.1 -Sertindole,75,nM,hERG,88.2,0.1 -Sertindole,1.5,nM,IK1,0,0.1 -Sertindole,1.5,nM,IK1,0,0.1 -Sertindole,1.5,nM,IK1,0.3,0.1 -Sertindole,4.5,nM,IK1,0,0.1 -Sertindole,4.5,nM,IK1,0,0.1 -Sertindole,4.5,nM,IK1,0,0.1 -Sertindole,15,nM,IK1,0,0.1 -Sertindole,15,nM,IK1,0,0.1 -Sertindole,15,nM,IK1,0,0.1 -Sertindole,75,nM,IK1,0,0.1 -Sertindole,75,nM,IK1,0,0.1 -Sertindole,75,nM,IK1,0,0.1 -Sertindole,1.5,nM,IKs,0,0.1 -Sertindole,1.5,nM,IKs,0,0.1 -Sertindole,1.5,nM,IKs,0,0.1 -Sertindole,4.5,nM,IKs,1.2,0.1 -Sertindole,4.5,nM,IKs,0,0.1 -Sertindole,4.5,nM,IKs,0.8,0.1 -Sertindole,15,nM,IKs,0.3,0.1 -Sertindole,15,nM,IKs,0,0.1 -Sertindole,15,nM,IKs,3.3,0.1 -Sertindole,75,nM,IKs,0.9,0.1 -Sertindole,75,nM,IKs,0,0.1 -Sertindole,75,nM,IKs,3.7,0.1 -Sertindole,1.5,nM,Peak sodium,0.4,0.1 -Sertindole,1.5,nM,Peak sodium,0,0.1 -Sertindole,1.5,nM,Peak sodium,0,0.1 -Sertindole,4.5,nM,Peak sodium,0,0.1 -Sertindole,4.5,nM,Peak sodium,0,0.1 -Sertindole,4.5,nM,Peak sodium,0,0.1 -Sertindole,15,nM,Peak sodium,0,0.1 -Sertindole,15,nM,Peak sodium,0,0.1 -Sertindole,15,nM,Peak sodium,0.4,0.1 -Sertindole,75,nM,Peak sodium,1,0.1 -Sertindole,75,nM,Peak sodium,0,0.1 -Sertindole,75,nM,Peak sodium,0,0.1 -Sotalol,14000,nM,Kv4.3,0.6,0.1 -Sotalol,14000,nM,Kv4.3,0,0.1 -Sotalol,14000,nM,Kv4.3,0,0.1 -Sotalol,140000,nM,Kv4.3,0.3,0.1 -Sotalol,140000,nM,Kv4.3,0,0.1 -Sotalol,140000,nM,Kv4.3,0.1,0.1 -Sotalol,7e+05,nM,Kv4.3,16.1,0.1 -Sotalol,7e+05,nM,Kv4.3,7.7,0.1 -Sotalol,7e+05,nM,Kv4.3,0.5,0.1 -Sotalol,2100000,nM,Kv4.3,15.9,0.1 -Sotalol,2100000,nM,Kv4.3,8.7,0.1 -Sotalol,2100000,nM,Kv4.3,11,0.1 -Sotalol,2100000,nM,Kv4.3,9.9,0.1 -Sotalol,14000,nM,Late sodium,0,0.1 -Sotalol,14000,nM,Late sodium,0,0.1 -Sotalol,14000,nM,Late sodium,3.7,0.1 -Sotalol,140000,nM,Late sodium,0,0.1 -Sotalol,140000,nM,Late sodium,0,0.1 -Sotalol,140000,nM,Late sodium,0,0.1 -Sotalol,7e+05,nM,Late sodium,0,0.1 -Sotalol,7e+05,nM,Late sodium,0,0.1 -Sotalol,7e+05,nM,Late sodium,0,0.1 -Sotalol,2100000,nM,Late sodium,11.8,0.1 -Sotalol,2100000,nM,Late sodium,8.5,0.1 -Sotalol,2100000,nM,Late sodium,12.6,0.1 -Sotalol,14000,nM,Calcium,3.6,0.1 -Sotalol,14000,nM,Calcium,0,0.1 -Sotalol,14000,nM,Calcium,2.4,0.1 -Sotalol,140000,nM,Calcium,4.8,0.1 -Sotalol,140000,nM,Calcium,0,0.1 -Sotalol,140000,nM,Calcium,4.1,0.1 -Sotalol,7e+05,nM,Calcium,13.5,0.1 -Sotalol,7e+05,nM,Calcium,8.6,0.1 -Sotalol,7e+05,nM,Calcium,13.4,0.1 -Sotalol,2100000,nM,Calcium,32.1,0.1 -Sotalol,2100000,nM,Calcium,19.3,0.1 -Sotalol,2100000,nM,Calcium,26.6,0.1 -Sotalol,14000,nM,hERG,33.7,0.1 -Sotalol,14000,nM,hERG,7.2,0.1 -Sotalol,14000,nM,hERG,10.4,0.1 -Sotalol,140000,nM,hERG,70.9,0.1 -Sotalol,140000,nM,hERG,47.2,0.1 -Sotalol,140000,nM,hERG,58.6,0.1 -Sotalol,7e+05,nM,hERG,97.6,0.1 -Sotalol,7e+05,nM,hERG,84.2,0.1 -Sotalol,7e+05,nM,hERG,89.2,0.1 -Sotalol,2100000,nM,hERG,99.7,0.1 -Sotalol,2100000,nM,hERG,88.9,0.1 -Sotalol,2100000,nM,hERG,97.7,0.1 -Sotalol,14000,nM,IK1,0,0.1 -Sotalol,14000,nM,IK1,0,0.1 -Sotalol,14000,nM,IK1,0,0.1 -Sotalol,140000,nM,IK1,0,0.1 -Sotalol,140000,nM,IK1,0,0.1 -Sotalol,140000,nM,IK1,0,0.1 -Sotalol,7e+05,nM,IK1,15.6,0.1 -Sotalol,7e+05,nM,IK1,21.6,0.1 -Sotalol,7e+05,nM,IK1,9.7,0.1 -Sotalol,2100000,nM,IK1,38.6,0.1 -Sotalol,2100000,nM,IK1,45.2,0.1 -Sotalol,2100000,nM,IK1,32,0.1 -Sotalol,14000,nM,IKs,0,0.1 -Sotalol,14000,nM,IKs,0.9,0.1 -Sotalol,14000,nM,IKs,0,0.1 -Sotalol,140000,nM,IKs,0.4,0.1 -Sotalol,140000,nM,IKs,2.3,0.1 -Sotalol,140000,nM,IKs,0,0.1 -Sotalol,7e+05,nM,IKs,17.6,0.1 -Sotalol,7e+05,nM,IKs,5.5,0.1 -Sotalol,7e+05,nM,IKs,6.1,0.1 -Sotalol,7e+05,nM,IKs,15.8,0.1 -Sotalol,2100000,nM,IKs,33.1,0.1 -Sotalol,2100000,nM,IKs,22.2,0.1 -Sotalol,2100000,nM,IKs,36.4,0.1 -Sotalol,14000,nM,Peak sodium,0,0.1 -Sotalol,14000,nM,Peak sodium,1.4,0.1 -Sotalol,14000,nM,Peak sodium,0.3,0.1 -Sotalol,140000,nM,Peak sodium,0,0.1 -Sotalol,140000,nM,Peak sodium,1.8,0.1 -Sotalol,140000,nM,Peak sodium,0.7,0.1 -Sotalol,7e+05,nM,Peak sodium,0,0.1 -Sotalol,7e+05,nM,Peak sodium,2.6,0.1 -Sotalol,7e+05,nM,Peak sodium,4.3,0.1 -Sotalol,2100000,nM,Peak sodium,0,0.1 -Sotalol,2100000,nM,Peak sodium,3.9,0.1 -Sotalol,2100000,nM,Peak sodium,7.8,0.1 -Terfenadine,0.8,nM,Kv4.3,0,0.1 -Terfenadine,0.8,nM,Kv4.3,5.3,0.1 -Terfenadine,0.8,nM,Kv4.3,8.9,0.1 -Terfenadine,8,nM,Kv4.3,10.3,0.1 -Terfenadine,8,nM,Kv4.3,10.1,0.1 -Terfenadine,8,nM,Kv4.3,9,0.1 -Terfenadine,80,nM,Kv4.3,4.3,0.1 -Terfenadine,80,nM,Kv4.3,9.1,0.1 -Terfenadine,80,nM,Kv4.3,6.3,0.1 -Terfenadine,800,nM,Kv4.3,28.5,0.1 -Terfenadine,800,nM,Kv4.3,22.1,0.1 -Terfenadine,800,nM,Kv4.3,11.1,0.1 -Terfenadine,0.8,nM,Late sodium,0,0.1 -Terfenadine,0.8,nM,Late sodium,2.5,0.1 -Terfenadine,0.8,nM,Late sodium,2.2,0.1 -Terfenadine,8,nM,Late sodium,3.6,0.1 -Terfenadine,8,nM,Late sodium,0.7,0.1 -Terfenadine,8,nM,Late sodium,0,0.1 -Terfenadine,80,nM,Late sodium,1,0.1 -Terfenadine,80,nM,Late sodium,7.8,0.1 -Terfenadine,80,nM,Late sodium,0,0.1 -Terfenadine,800,nM,Late sodium,11.5,0.1 -Terfenadine,800,nM,Late sodium,14.9,0.1 -Terfenadine,800,nM,Late sodium,11.7,0.1 -Terfenadine,0.8,nM,Calcium,0.8,0.1 -Terfenadine,0.8,nM,Calcium,1.4,0.1 -Terfenadine,0.8,nM,Calcium,0,0.1 -Terfenadine,8,nM,Calcium,4.5,0.1 -Terfenadine,8,nM,Calcium,2.7,0.1 -Terfenadine,8,nM,Calcium,5.2,0.1 -Terfenadine,80,nM,Calcium,24,0.1 -Terfenadine,80,nM,Calcium,15.5,0.1 -Terfenadine,80,nM,Calcium,20.1,0.1 -Terfenadine,800,nM,Calcium,49.7,0.1 -Terfenadine,800,nM,Calcium,53.1,0.1 -Terfenadine,800,nM,Calcium,53.2,0.1 -Terfenadine,0.8,nM,hERG,27.4,0.1 -Terfenadine,0.8,nM,hERG,18.9,0.1 -Terfenadine,0.8,nM,hERG,13.8,0.1 -Terfenadine,8,nM,hERG,45.5,0.1 -Terfenadine,8,nM,hERG,22.8,0.1 -Terfenadine,8,nM,hERG,30.4,0.1 -Terfenadine,8,nM,hERG,33.5,0.1 -Terfenadine,80,nM,hERG,85.9,0.1 -Terfenadine,80,nM,hERG,72.4,0.1 -Terfenadine,80,nM,hERG,64.5,0.1 -Terfenadine,800,nM,hERG,96.2,0.1 -Terfenadine,800,nM,hERG,78.6,0.1 -Terfenadine,800,nM,hERG,93.6,0.1 -Terfenadine,0.8,nM,IK1,8.2,0.1 -Terfenadine,0.8,nM,IK1,3.9,0.1 -Terfenadine,0.8,nM,IK1,0,0.1 -Terfenadine,8,nM,IK1,0,0.1 -Terfenadine,8,nM,IK1,0,0.1 -Terfenadine,8,nM,IK1,0,0.1 -Terfenadine,80,nM,IK1,0,0.1 -Terfenadine,80,nM,IK1,8.6,0.1 -Terfenadine,80,nM,IK1,0,0.1 -Terfenadine,800,nM,IK1,0,0.1 -Terfenadine,800,nM,IK1,0,0.1 -Terfenadine,800,nM,IK1,0,0.1 -Terfenadine,0.8,nM,IKs,0,0.1 -Terfenadine,0.8,nM,IKs,0.05,0.1 -Terfenadine,0.8,nM,IKs,0,0.1 -Terfenadine,8,nM,IKs,0.6,0.1 -Terfenadine,8,nM,IKs,0,0.1 -Terfenadine,8,nM,IKs,0,0.1 -Terfenadine,80,nM,IKs,0.5,0.1 -Terfenadine,80,nM,IKs,2.6,0.1 -Terfenadine,80,nM,IKs,0,0.1 -Terfenadine,800,nM,IKs,0,0.1 -Terfenadine,800,nM,IKs,4,0.1 -Terfenadine,800,nM,IKs,5.9,0.1 -Terfenadine,0.8,nM,Peak sodium,0.1,0.1 -Terfenadine,0.8,nM,Peak sodium,0,0.1 -Terfenadine,0.8,nM,Peak sodium,0.5,0.1 -Terfenadine,8,nM,Peak sodium,0,0.1 -Terfenadine,8,nM,Peak sodium,0,0.1 -Terfenadine,8,nM,Peak sodium,0,0.1 -Terfenadine,80,nM,Peak sodium,0,0.1 -Terfenadine,80,nM,Peak sodium,0,0.1 -Terfenadine,80,nM,Peak sodium,4.7,0.1 -Terfenadine,800,nM,Peak sodium,16.8,0.1 -Terfenadine,800,nM,Peak sodium,21.6,0.1 -Terfenadine,800,nM,Peak sodium,5.1,0.1 -Terfenadine,800,nM,Peak sodium,12.3,0.1 -Toremifene,25,nM,Kv4.3,1.7,0.1 -Toremifene,25,nM,Kv4.3,0.5,0.1 -Toremifene,25,nM,Kv4.3,0.5,0.1 -Toremifene,75,nM,Kv4.3,1.7,0.1 -Toremifene,75,nM,Kv4.3,0.2,0.1 -Toremifene,75,nM,Kv4.3,0.03,0.1 -Toremifene,250,nM,Kv4.3,1.9,0.1 -Toremifene,250,nM,Kv4.3,1.4,0.1 -Toremifene,250,nM,Kv4.3,0.6,0.1 -Toremifene,1250,nM,Kv4.3,2.1,0.1 -Toremifene,1250,nM,Kv4.3,0,0.1 -Toremifene,1250,nM,Kv4.3,12.2,0.1 -Toremifene,1250,nM,Kv4.3,0,0.1 -Toremifene,25,nM,Late sodium,0,0.1 -Toremifene,25,nM,Late sodium,4.8,0.1 -Toremifene,25,nM,Late sodium,0,0.1 -Toremifene,25,nM,Late sodium,0,0.1 -Toremifene,75,nM,Late sodium,2.3,0.1 -Toremifene,75,nM,Late sodium,0,0.1 -Toremifene,75,nM,Late sodium,0,0.1 -Toremifene,250,nM,Late sodium,0.4,0.1 -Toremifene,250,nM,Late sodium,0,0.1 -Toremifene,250,nM,Late sodium,0,0.1 -Toremifene,1250,nM,Late sodium,17,0.1 -Toremifene,1250,nM,Late sodium,31.4,0.1 -Toremifene,1250,nM,Late sodium,0.7,0.1 -Toremifene,25,nM,Calcium,0,0.1 -Toremifene,25,nM,Calcium,0.09,0.1 -Toremifene,25,nM,Calcium,4.1,0.1 -Toremifene,75,nM,Calcium,3.4,0.1 -Toremifene,75,nM,Calcium,0,0.1 -Toremifene,75,nM,Calcium,0,0.1 -Toremifene,250,nM,Calcium,0.8,0.1 -Toremifene,250,nM,Calcium,0,0.1 -Toremifene,250,nM,Calcium,2.3,0.1 -Toremifene,1250,nM,Calcium,2.4,0.1 -Toremifene,1250,nM,Calcium,0,0.1 -Toremifene,1250,nM,Calcium,3.5,0.1 -Toremifene,1250,nM,Calcium,3.7,0.1 -Toremifene,1250,nM,Calcium,11.8,0.1 -Toremifene,25,nM,hERG,0.8,0.1 -Toremifene,25,nM,hERG,0.4,0.1 -Toremifene,25,nM,hERG,1.9,0.1 -Toremifene,25,nM,hERG,0,0.1 -Toremifene,75,nM,hERG,0,0.1 -Toremifene,75,nM,hERG,2.4,0.1 -Toremifene,75,nM,hERG,0,0.1 -Toremifene,250,nM,hERG,14.7,0.1 -Toremifene,250,nM,hERG,9.4,0.1 -Toremifene,250,nM,hERG,5.3,0.1 -Toremifene,1250,nM,hERG,27.2,0.1 -Toremifene,1250,nM,hERG,21.3,0.1 -Toremifene,1250,nM,hERG,17.9,0.1 -Toremifene,25,nM,IK1,0,0.1 -Toremifene,25,nM,IK1,0,0.1 -Toremifene,25,nM,IK1,0,0.1 -Toremifene,75,nM,IK1,0,0.1 -Toremifene,75,nM,IK1,0,0.1 -Toremifene,75,nM,IK1,0,0.1 -Toremifene,250,nM,IK1,0,0.1 -Toremifene,250,nM,IK1,0,0.1 -Toremifene,250,nM,IK1,0,0.1 -Toremifene,1250,nM,IK1,0,0.1 -Toremifene,1250,nM,IK1,0,0.1 -Toremifene,1250,nM,IK1,0,0.1 -Toremifene,25,nM,IKs,0,0.1 -Toremifene,25,nM,IKs,2.1,0.1 -Toremifene,25,nM,IKs,0,0.1 -Toremifene,75,nM,IKs,0,0.1 -Toremifene,75,nM,IKs,0.05,0.1 -Toremifene,75,nM,IKs,0,0.1 -Toremifene,250,nM,IKs,0,0.1 -Toremifene,250,nM,IKs,0,0.1 -Toremifene,250,nM,IKs,0,0.1 -Toremifene,1250,nM,IKs,0,0.1 -Toremifene,1250,nM,IKs,0,0.1 -Toremifene,1250,nM,IKs,0,0.1 -Toremifene,25,nM,Peak sodium,0.1,0.1 -Toremifene,25,nM,Peak sodium,0,0.1 -Toremifene,25,nM,Peak sodium,0,0.1 -Toremifene,75,nM,Peak sodium,0,0.1 -Toremifene,75,nM,Peak sodium,0,0.1 -Toremifene,75,nM,Peak sodium,0,0.1 -Toremifene,250,nM,Peak sodium,0.6,0.1 -Toremifene,250,nM,Peak sodium,0,0.1 -Toremifene,250,nM,Peak sodium,0,0.1 -Toremifene,1250,nM,Peak sodium,11.2,0.1 -Toremifene,1250,nM,Peak sodium,2.8,0.1 -Toremifene,1250,nM,Peak sodium,5.1,0.1 -Verapamil,50,nM,Kv4.3,0.9,0.1 -Verapamil,50,nM,Kv4.3,0,0.1 -Verapamil,50,nM,Kv4.3,0,0.1 -Verapamil,150,nM,Kv4.3,0.9,0.1 -Verapamil,150,nM,Kv4.3,3.2,0.1 -Verapamil,150,nM,Kv4.3,0,0.1 -Verapamil,500,nM,Kv4.3,8.4,0.1 -Verapamil,500,nM,Kv4.3,12.2,0.1 -Verapamil,500,nM,Kv4.3,3.2,0.1 -Verapamil,1000,nM,Kv4.3,5.8,0.1 -Verapamil,1000,nM,Kv4.3,15.6,0.1 -Verapamil,1000,nM,Kv4.3,8.2,0.1 -Verapamil,50,nM,Late sodium,0,0.1 -Verapamil,50,nM,Late sodium,6.7,0.1 -Verapamil,50,nM,Late sodium,0,0.1 -Verapamil,150,nM,Late sodium,0,0.1 -Verapamil,150,nM,Late sodium,4.1,0.1 -Verapamil,150,nM,Late sodium,0,0.1 -Verapamil,500,nM,Late sodium,0,0.1 -Verapamil,500,nM,Late sodium,13.4,0.1 -Verapamil,500,nM,Late sodium,4.1,0.1 -Verapamil,1000,nM,Late sodium,0,0.1 -Verapamil,1000,nM,Late sodium,29.6,0.1 -Verapamil,1000,nM,Late sodium,6.3,0.1 -Verapamil,5,nM,Calcium,6.5,0.1 -Verapamil,5,nM,Calcium,4.3,0.1 -Verapamil,5,nM,Calcium,1.1,0.1 -Verapamil,50,nM,Calcium,22.6,0.1 -Verapamil,50,nM,Calcium,20.9,0.1 -Verapamil,50,nM,Calcium,19.4,0.1 -Verapamil,150,nM,Calcium,50.5,0.1 -Verapamil,150,nM,Calcium,28.9,0.1 -Verapamil,150,nM,Calcium,40.1,0.1 -Verapamil,150,nM,Calcium,35.9,0.1 -Verapamil,500,nM,Calcium,89.8,0.1 -Verapamil,500,nM,Calcium,67.2,0.1 -Verapamil,500,nM,Calcium,68.9,0.1 -Verapamil,1000,nM,Calcium,99.6,0.1 -Verapamil,1000,nM,Calcium,77.7,0.1 -Verapamil,1000,nM,Calcium,79.7,0.1 -Verapamil,5,nM,hERG,0,0.1 -Verapamil,5,nM,hERG,3.6,0.1 -Verapamil,50,nM,hERG,8.5,0.1 -Verapamil,50,nM,hERG,15.4,0.1 -Verapamil,50,nM,hERG,14.3,0.1 -Verapamil,150,nM,hERG,18.8,0.1 -Verapamil,150,nM,hERG,18.5,0.1 -Verapamil,150,nM,hERG,24.8,0.1 -Verapamil,500,nM,hERG,44.4,0.1 -Verapamil,500,nM,hERG,44.4,0.1 -Verapamil,500,nM,hERG,44.5,0.1 -Verapamil,1000,nM,hERG,77.2,0.1 -Verapamil,1000,nM,hERG,74.1,0.1 -Verapamil,1000,nM,hERG,68.7,0.1 -Verapamil,50,nM,IK1,0,0.1 -Verapamil,50,nM,IK1,2.9,0.1 -Verapamil,50,nM,IK1,0,0.1 -Verapamil,150,nM,IK1,0,0.1 -Verapamil,150,nM,IK1,9.1,0.1 -Verapamil,150,nM,IK1,2.2,0.1 -Verapamil,150,nM,IK1,0,0.1 -Verapamil,500,nM,IK1,0,0.1 -Verapamil,500,nM,IK1,1.9,0.1 -Verapamil,500,nM,IK1,0,0.1 -Verapamil,1000,nM,IK1,0,0.1 -Verapamil,1000,nM,IK1,10.6,0.1 -Verapamil,1000,nM,IK1,1,0.1 -Verapamil,5,nM,IKs,0,0.1 -Verapamil,5,nM,IKs,0,0.1 -Verapamil,5,nM,IKs,2.7,0.1 -Verapamil,50,nM,IKs,0,0.1 -Verapamil,50,nM,IKs,3.4,0.1 -Verapamil,50,nM,IKs,4.7,0.1 -Verapamil,150,nM,IKs,0,0.1 -Verapamil,150,nM,IKs,1.6,0.1 -Verapamil,150,nM,IKs,8.2,0.1 -Verapamil,500,nM,IKs,0,0.1 -Verapamil,500,nM,IKs,1.8,0.1 -Verapamil,500,nM,IKs,5.4,0.1 -Verapamil,50,nM,Peak sodium,0.8,0.1 -Verapamil,50,nM,Peak sodium,0,0.1 -Verapamil,50,nM,Peak sodium,0,0.1 -Verapamil,150,nM,Peak sodium,0.3,0.1 -Verapamil,150,nM,Peak sodium,0.6,0.1 -Verapamil,150,nM,Peak sodium,0,0.1 -Verapamil,500,nM,Peak sodium,0.8,0.1 -Verapamil,500,nM,Peak sodium,0,0.1 -Verapamil,500,nM,Peak sodium,0,0.1 -Verapamil,1000,nM,Peak sodium,1.2,0.1 -Verapamil,1000,nM,Peak sodium,0.2,0.1 -Verapamil,1000,nM,Peak sodium,0,0.1 diff --git a/Hill_fitting/data/process_patchclamp_data.R b/Hill_fitting/data/process_patchclamp_data.R deleted file mode 100644 index 38d7ed9..0000000 --- a/Hill_fitting/data/process_patchclamp_data.R +++ /dev/null @@ -1,50 +0,0 @@ -# File: process_patchclamp_data.R -# Author: Kelly Chang -# Date: Oct 2017 -# Version: 1.0 -# -# Description: R script for processing patch clamp data from Li et al. 2017 -# to be used for Markov-chain Monte Carlo simulation and -# uncertainty quantification. -# This data was used in the study "Improving the in silico -# assessment of proarrhythmia risk by combining hERG (Human -# Ether-à-go-go-Related Gene) channel-drug binding kinetics -# and multichannel pharmacology" -# by Zhihua Li, Sara Dutta, Jiansong Sheng, Phu N. Tran, Wendy -# Wu, Kelly Chang, Thembi Mdluli, David G. Strauss, and Thomas -# Colatsky -# Link: http://circep.ahajournals.org/content/10/2/e004628.abstract -# - - -# read in patch clamp data used for Li et al. 2017 -datadf<-read.csv("mergedpatchclampdata-20160514.csv") - -# convert to lowercase -colnames(datadf)<-tolower(colnames(datadf)) -datadf$drug<-tolower(datadf$drug) - -# remove Crumb et al. 2016 hERG data and add White Oak data -datadf<-datadf[datadf$channel!="hERG",] -tmpdf<-read.csv("WO_hERG_block.csv") -colnames(tmpdf)<-tolower(colnames(tmpdf)) -tmpdf$drug<-tolower(tmpdf$drug) -tmpdf$pacing<-NA -datadf<-rbind(datadf,tmpdf) - -# convert micromolar to nanomolar -isMicro<-datadf$Units=="uM" -datadf[isMicro,"conc"]<-datadf[isMicro,"conc"]*1e3 -datadf[isMicro,"units"]<-"nM" - -# convert channel names to current names -datadf$channel<-sapply(datadf$channel, function(x) gsub(" ","_",x)) -channels<-as.character(datadf$channel) -channels[channels=="Calcium"]<-"ICaL" -channels[channels=="Kv4.3"]<-"Ito" -channels[channels=="Peak_sodium"]<-"INa" -channels[channels=="Late_sodium"]<-"INaL" -datadf$channel<-channels - -# save to new file -write.csv(datadf, "drug_block.csv", row.names=F, quote=F) diff --git a/Hill_fitting/keep_only_Li2017_IC50.R b/Hill_fitting/keep_only_Li2017_IC50.R deleted file mode 100644 index edcdac4..0000000 --- a/Hill_fitting/keep_only_Li2017_IC50.R +++ /dev/null @@ -1,48 +0,0 @@ -# File: keep_only_Li2017_IC50.R -# Author: Kelly Chang -# Date: Oct 2017 -# Version: 1.0 -# -# Description: R script to remove IC50 values from MCMC simulation outputs -# that were not provided in the article -# "Improving the in silico assessment of proarrhythmia risk by -# combining hERG (Human Ether-à-go-go-Related Gene) -# channel-drug binding kinetics and multichannel pharmacology" -# by Zhihua Li, Sara Dutta, Jiansong Sheng, Phu N. Tran, Wendy -# Wu, Kelly Chang, Thembi Mdluli, David G. Strauss, and Thomas -# Colatsky -# Link: http://circep.ahajournals.org/content/10/2/e004628.abstract -# - -# read in Li et al. 2017 IC50 values -drugtable<-read.csv("data/Li2017_IC50.csv") - -for(drug in drugtable$drug){ - drugdir<-sprintf("results/%s/",drug) - print(drugdir) - - for(filename in c("IC50_optimal.csv", "IC50_samples.csv")){ - # read in IC50 table - drugfile<-paste0(drugdir,filename) - df<-read.csv(drugfile) - - # save original file for backup - i<-0 - bkfile<-paste0(drugfile,".bkup.",i) - while(file.exists(bkfile)){ - i<-i+1 - bkfile<-paste0(drugfile,".bkup.",i) - } - file.copy(drugfile, bkfile) - - # find columns with no IC50 value (set at 0) in Li et al. 2017 - pidx<-match(colnames(df), colnames(drugtable), nomatch=0) - thistable<-drugtable[drugtable$drug==drug, pidx] - isna<-which(is.na(thistable[1,])) - - # erase values and overwrite file with new table - print(head(df[,isna])) - df[,isna]<-NA - write.csv(df, drugfile, row.names=F, quote=F) - }#for filename -}#for drug diff --git a/Hill_fitting/results/bepridil/IC50_samples.csv b/Hill_fitting/results/bepridil/IC50_samples.csv deleted file mode 100644 index afd8ae1..0000000 --- a/Hill_fitting/results/bepridil/IC50_samples.csv +++ /dev/null @@ -1,2001 +0,0 @@ -ICaL_IC50,ICaL_h,IK1_IC50,IK1_h,IKs_IC50,IKs_h,INa_IC50,INa_h,INaL_IC50,INaL_h,Ito_IC50,Ito_h,hERG_IC50,hERG_h -2704,0.6954,NA,NA,50490,0.6277,2371,1.984,1947,1.473,12460,2.885,53.1,1.075 -2818,0.6409,NA,NA,137200,0.4536,2734,1.225,1802,1.212,12460,2.885,52.07,1.063 -3939,0.718,NA,NA,26120,0.8349,3064,1.108,1921,1.421,9611,3.046,50.91,1.01 -2077,0.7295,NA,NA,13220,1.184,2681,1.236,2019,1.19,5858,5.368,41.77,1.038 -2568,0.704,NA,NA,41920,0.6168,2799,1.103,1897,1.36,5858,5.368,45.9,0.9555 -3318,0.5962,NA,NA,67640,0.5535,2626,0.9595,1948,1.29,5480,6.169,56.11,0.9086 -2394,0.611,NA,NA,81860,0.5033,2772,1.595,1948,1.353,5480,6.169,51.26,0.9721 -2595,0.7116,NA,NA,30400,0.6855,2953,1.595,1645,1.308,5480,6.169,49.58,0.9419 -2861,0.644,NA,NA,26600,0.6545,3384,0.9985,1742,1.457,5480,6.169,40.53,1.188 -3663,0.6506,NA,NA,163100,0.3869,3181,1.08,1667,1.322,7285,4.168,52.7,1.06 -2968,0.7046,NA,NA,47160,0.5676,3062,1.03,1722,1.47,7285,4.168,50.08,1.02 -3534,0.4645,NA,NA,36690,0.6354,3395,1.219,1703,1.518,11320,2.935,49.79,0.9513 -2612,0.7285,NA,NA,31310,0.7206,2541,1.45,1685,1.306,11300,2.81,50.65,0.9829 -8969,0.2843,NA,NA,168700,0.431,3032,1.535,1874,1.343,12000,2.777,44.4,0.7867 -5110,0.5567,NA,NA,33660,0.7217,2572,1.137,1961,1.351,8185,3.673,55.38,1.008 -3267,0.5437,NA,NA,11380,1.025,3068,1.113,2023,1.291,7445,4.484,60.39,0.8806 -1939,0.7433,NA,NA,14000,0.8804,2965,1.045,1661,1.512,7445,4.484,47.11,0.9287 -2040,0.6777,NA,NA,21960,0.8032,2930,1.305,1871,1.722,7581,4.458,47.37,0.8542 -3136,0.5934,NA,NA,53360,0.5889,2948,1.117,1668,1.304,713300,3.056,45.52,1.011 -3117,0.674,NA,NA,17220,0.9057,2778,1.619,1757,1.497,351300,1.049,59.29,1.01 -2170,0.7452,NA,NA,10130,1.117,3047,1.078,1901,1.154,18230,2.364,60.61,0.9253 -2985,0.6535,NA,NA,11770,1.149,3612,0.9361,1692,1.422,12710,2.517,51.61,0.9034 -3883,0.6364,NA,NA,8472,1.259,3252,1.204,1765,1.381,396300,1.289,50.18,0.8627 -2659,0.7514,NA,NA,53250,0.5685,2181,1.308,1775,1.442,279100,0.941,50.61,0.966 -2698,0.7444,NA,NA,22140,0.8209,3082,1.43,1830,1.244,279100,0.941,58,0.9145 -2486,0.7127,NA,NA,14450,0.9529,2902,0.956,1883,1.09,6729,4.707,45.59,0.8918 -3481,0.5469,NA,NA,12820,1.037,2806,1.484,1866,1.164,6729,4.707,56.39,0.8725 -2818,0.6235,NA,NA,24710,0.747,2604,1.276,1678,1.483,7359,4.082,55.49,0.9797 -2168,0.9843,NA,NA,14080,0.9654,2815,1.405,1837,1.285,7359,4.082,48.77,1.142 -3857,0.4351,NA,NA,16920,0.9166,2858,1.304,1609,1.313,8536,3.793,53.05,1.012 -3196,0.6472,NA,NA,23690,0.7794,2909,1.068,1867,1.585,7434,4.059,45.17,0.8691 -7036,0.5053,NA,NA,25850,0.82,2709,1.016,1682,1.394,8913,3.36,54.71,0.7491 -2808,0.6478,NA,NA,28050,0.5833,3551,0.8976,1774,1.321,16250,2.182,58.83,0.9076 -2604,0.7916,NA,NA,26610,0.7995,2838,1.026,1939,1.363,16250,2.182,49.42,0.8172 -2529,0.6944,NA,NA,20180,0.8618,3351,1.036,1789,1.528,8210,3.744,51.03,0.8468 -2482,0.7801,NA,NA,14610,0.8649,3043,1.209,1936,1.493,8978,3.412,55.97,0.9207 -4291,0.5702,NA,NA,56570,0.5392,3223,0.9651,1704,1.332,8500,3.909,41.03,0.9598 -2762,0.6711,NA,NA,45010,0.6064,2871,1.016,2106,1.423,11740,3.077,57.11,0.9877 -3297,0.5556,NA,NA,11190,1.104,2810,1.095,1978,1.211,13980,2.604,51.57,0.7824 -1596,0.7569,NA,NA,11390,1.102,2881,1.255,1693,1.222,11380,2.89,47.5,0.8735 -2349,0.7396,NA,NA,13130,0.9888,3026,1.373,1679,1.506,14530,2.333,54.16,0.7763 -3074,0.6971,NA,NA,38600,0.7444,3048,1.027,1876,1.417,6886,4.122,60.71,0.9379 -2728,0.6186,NA,NA,77680,0.5351,3034,1.488,1955,1.649,7879000,3.742,58.82,0.7839 -4066,0.5803,NA,NA,31860,0.6914,2858,1.889,1700,1.37,1.111e+09,0.7621,56.11,0.825 -3003,0.5937,NA,NA,30390,0.6393,3577,1.004,1704,1.402,371300000,5.313,50.81,0.9369 -2997,0.6937,NA,NA,110600,0.5287,3137,1.001,1607,1.638,7699000,2.208,52.56,0.8624 -1850,0.918,NA,NA,23820,0.6268,3155,0.9983,1943,1.352,9118,4.369,46.98,0.9446 -3158,0.8072,NA,NA,50600,0.5856,2996,1.188,1883,1.338,138100000,1.115,51.18,0.8429 -3219,0.5059,NA,NA,59860,0.5682,2496,1.434,1857,1.582,391600000,4.146,51.65,1.026 -1982,0.9043,NA,NA,16860,1.031,2490,1.008,1870,1.309,489100000,2.012,48.86,0.9209 -3529,0.7241,NA,NA,47960,0.5832,3011,1.38,1850,1.372,2.293e+09,0.5594,43.47,0.822 -2834,0.5002,NA,NA,30410,0.7359,3225,1.132,1545,1.638,5727,6.444,50.82,0.9234 -2914,0.5851,NA,NA,27880,0.7546,3116,1.098,1990,1.328,5727,6.444,46.69,0.7865 -2875,0.5699,NA,NA,36840,0.5925,3054,0.8603,1563,1.426,4998,6.581,57.57,0.9731 -3630,0.5066,NA,NA,26150,0.7062,3274,1.341,1915,1.508,5735,6.923,49.85,0.9761 -2735,0.7777,NA,NA,43810,0.6473,2824,1.262,1949,1.198,5019,7.296,51.25,0.9634 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file mode 100755 index 2d511a3..0000000 --- a/Hill_fitting/run_IC50_mcmc.sh +++ /dev/null @@ -1,17 +0,0 @@ -#!/bin/bash - -# File: run_IC50_mcmc.sh -# Author: Kelly Chang -# Date: Oct 2017 -# Version: 1.0 -# -# Description: Bash script to run Markov-chain Monte Carlo simulations for -# the 12 CiPA training drugs. -# - -DRUGNAMES=(dofetilide bepridil sotalol quinidine cisapride terfenadine ondansetron chlorpromazine verapamil ranolazine mexiletine diltiazem) - -mkdir logfiles -for DRUG in ${DRUGNAMES[@]}; do - Rscript IC50_mcmc.R -d "$DRUG" >& logfiles/"$DRUG" -done diff --git a/LOOCV/Readme.docx b/LOOCV/Readme.docx new file mode 100644 index 0000000..8021bf8 Binary files /dev/null and b/LOOCV/Readme.docx differ diff --git a/LOOCV/Result_PlotTableLOOCV/Table7.txt b/LOOCV/Result_PlotTableLOOCV/Table7.txt new file mode 100644 index 0000000..1e822e8 --- /dev/null +++ b/LOOCV/Result_PlotTableLOOCV/Table7.txt @@ -0,0 +1,9 @@ +metric dataset qNet +AUC1 nanion8rand 0.933 (0.867 - 1 ) +AUC2 nanion8rand 1 (0.667 - 1 ) +Pairwise Correct Rate nanion8rand 0.938 (0.875 - 1 ) +LR+ of Threshold 1 nanion8rand 3 (2.4 - 3 ) +LR- of Threshold 1 nanion8rand 1.5e-06 (1.5e-06 - 0.3 ) +LR+ of Threshold 2 nanion8rand 6 (3 - 6 ) +LR- of Threshold 2 nanion8rand 1.2e-06 (1.2e-06 - 0.6 ) +Mean Classification Error nanion8rand 0.322 (0.315 - 0.329) diff --git a/LOOCV/Result_PlotTableLOOCV/al28df.txt b/LOOCV/Result_PlotTableLOOCV/al28df.txt new file mode 100644 index 0000000..2fd45e9 --- /dev/null +++ b/LOOCV/Result_PlotTableLOOCV/al28df.txt @@ -0,0 +1,9 @@ +metric nanion8rand_qNet +AUC1 0.933 (0.867 - 1 ) +AUC2 1 (0.667 - 1 ) +Pairwise 0.938 (0.875 - 1 ) +LR1plus 3 (2.4 - 3 ) +LR1minus 1.5e-06 (1.5e-06 - 0.3 ) +LR2plus 6 (3 - 6 ) +LR2minus 1.2e-06 (1.2e-06 - 0.6 ) +Mean_error 0.322 (0.315 - 0.329) diff --git a/AP_simulation/compute_TdP_error.R b/LOOCV/mycompute_TdP_error.R similarity index 53% rename from AP_simulation/compute_TdP_error.R rename to LOOCV/mycompute_TdP_error.R index 2223bf9..135ad4f 100644 --- a/AP_simulation/compute_TdP_error.R +++ b/LOOCV/mycompute_TdP_error.R @@ -1,220 +1,208 @@ -# File: compute_TdP_error.R -# Author: Kelly Chang -# Date: Oct 2017 -# Version: 1.0 -# -# Description: R script to perform Torsade de Pointes (TdP) risk -# classification using ordinal logistic regression and -# leave-one-out cross validation (LOOCV). -# For help, run this script with command line option "-h". -# - -#--- specify command line arguments -library(optparse) -parser<-OptionParser() -parser<-add_option(parser, c("-t", "--tdpfile"), default="data/CiPA_training_drugs.csv", help="Filepath to table of known TdP risk levels [default data/CiPA_training_drugs.csv]") -parser<-add_option(parser, c("-u", "--uncertainty"), default=FALSE, action="store_true", help="Flag to use simulations with uncertainty inputs for training and cross-validation") -parser<-add_option(parser, c("-o", "--omit"), default=FALSE, action="store_true", help="Flag to use drug simulations with ionic current effects omitted") - -args<-parse_args(parser) - -#--- load libraries -library(rms) -library(ggplot2) -print(sessionInfo()) - -#--- get arguments -tdpfile<-args$tdpfile -useUQ<-args$uncertainty -omit<-args$omit - -# setup output directory -input<-ifelse(useUQ, "uncertainty", "fixed") -simdir<-sprintf("results/%s/",input) -if(omit){ - outdir_vec<-Sys.glob(paste0(simdir,"drop_*/")) -}else{ - outdir_vec<-simdir -} - -#--- function to try ordinal logistic regression -try_lrm<-function(datadf, tol=1e-10, maxit=1e6){ - try({ lrm(CiPA~qNet, data=datadf, penalty=0, x=TRUE, y=TRUE, tol=tol, maxit=maxit) }) -} - -#--- read in drug TdP risk -drugtable<-read.csv(tdpfile) -drugnames<-as.character(drugtable$drug) - -#--- do logistic regression -for(outdir in outdir_vec){ - # read in dataset - infile<-paste0(outdir,"metrics.rds") - df<-readRDS(infile) - df<-df[df$drug!="control" & df$dose!=0,] - df<-df[!is.na(df$max_dv),] # depolarization failures - df<-merge(df, drugtable[,c("drug","CiPA")], by="drug", all.x=T) - df$drug<-factor(df$drug,levels=drugnames) - df<-df[order(df$drug,df$sample),] - df$CiPA<-ordered(df$CiPA) - - # perform logistic regression and leave-one-out cross validation for each dose - errdf<-data.frame() - probdf<-data.frame() - cverrdf<-data.frame() - cvprobdf<-data.frame() - for(dose in sort(unique(df$dose))){ - for(drug in c(NA,drugnames)){ - - # fit logistic regression model - if(is.na(drug)){ - print(sprintf("training on dose = %g Cmax",dose)) - datadf<-df[df$dose==dose, c("drug","CiPA","qNet")] - testdf<-datadf - traindf<-datadf - }else{ - print(sprintf("cross validating with %s",drug)) - testdf<-datadf[datadf$drug==drug,] - traindf<-datadf[datadf$drug!=drug,] - if(nrow(testdf)==0){ - print("no data to test! skipping...") - next - } - } - - lmod<-try_lrm(traindf) - print(lmod) - if(inherits(lmod, "try-error")){ - if(is.na(drug)){ - print(sprintf("fitting dose %g failed! skipping...",dose)) - break - }else{ - print(sprintf("cross validating with %s failed! skipping...",drug)) - next - } - } - - # save coefficients - print(sprintf("Convergence failure: %s",lmod$fail)) - cf<-coefficients(lmod) - cfvec<-c() - for(kint in 1:(length(cf)-1)) - cfvec[[paste0("intercept",kint)]]<-cf[[kint]] - cfvec[["slope"]]<-cf[[length(cf)]] - - # get training/prediction error - if(is.na(drug)){ - probs<-predict(lmod, type="fitted.ind") - }else{ - probs<-matrix(predict(lmod, newdata=testdf, type="fitted.ind"), ncol=length(levels(y0))) - } - y0<-testdf$CiPA - yPred<-apply(probs,1, function(x) which.max(x)) - pred_err<-mean(abs(yPred-as.integer(y0))) - - # append to data frame - if(is.na(drug)){ - newrow<-data.frame(dose=dose, t(cfvec), error=pred_err) - errdf<-rbind(errdf,newrow) - }else{ - newrow<-data.frame(drug=drug, dose=dose, t(cfvec), error=pred_err) - cverrdf<-rbind(cverrdf,newrow) - } - - # detailed results - newcols<-sapply(levels(y0), function(s) paste0("predict_",s), USE.NAMES=F) - predictions<-factor(newcols[yPred], levels=newcols) - tmpdf<-as.data.frame(tapply(1:nrow(testdf), list(drug=as.character(testdf$drug), predict=predictions), FUN=length)) - tmpdf[is.na(tmpdf)]<-0 - tmpdf$drug<-factor(rownames(tmpdf), levels=drugnames) - tmpdf$dose<-dose - tmpdf<-merge(drugtable[,c("drug","CiPA")],tmpdf) - tmpdf<-tmpdf[order(tmpdf$drug),] - rownames(tmpdf)<-NULL - if(is.na(drug)){ - probdf<-rbind(probdf,tmpdf) - }else{ - cvprobdf<-rbind(cvprobdf,tmpdf) - } - - } # for drug - } # for dose - - outfile<-paste0(outdir,"training_probs.csv") - write.csv(probdf, outfile, row.names=F, quote=F) - print(head(probdf)) - - outfile<-paste0(outdir,"training_errors.csv") - write.csv(errdf, outfile, row.names=F, quote=F) - print(head(errdf)) - - outfile<-paste0(outdir,"LOOCV_probs.csv") - write.csv(cvprobdf, outfile, row.names=F, quote=F) - print(head(cvprobdf)) - - outfile<-paste0(outdir,"LOOCV_errors.csv") - write.csv(cverrdf, outfile, row.names=F, quote=F) - print(head(cverrdf)) -}# for outdir - -#--- get training results to plot -df<-data.frame() -for(outdir in outdir_vec){ - infile<-paste0(outdir,"training_errors.csv") - tmpdf<-read.csv(infile) - - if(omit){ - dropcurrent<-sub("/","",sub(".*drop_","",outdir)) - tmpdf$drop<-dropcurrent - }else{ - tmpdf$drop<-"none" - } - - df<-rbind(df,tmpdf) -}# for outdir - -system(paste0("mkdir -p figs")) -dropstr<-ifelse(omit, "dropcurrent_", "") -figfile<-sprintf("figs/%s%s_training_errors.pdf",dropstr,input) -print(figfile) -pdf(figfile, width=8, height=4.5) -p<-ggplot(df, aes(x=dose, y=error, color=drop)) -p<-p+geom_point(size=2)+geom_line(size=0.75) -p<-p+ylab("Training error") -p<-p+xlab(~"Concentration (\u00D7"~C[max]*")") -p<-p+theme_bw() -if(!omit) - p<-p+theme(legend.position="none") -print(p) -dev.off() - -#--- get LOOCV results to plot -df<-data.frame() -for(outdir in outdir_vec){ - infile<-paste0(outdir,"LOOCV_errors.csv") - tmpdf<-read.csv(infile) - - if(omit){ - dropcurrent<-sub("/","",sub(".*drop_","",outdir)) - tmpdf$drop<-dropcurrent - }else{ - tmpdf$drop<-"none" - } - - df<-rbind(df,tmpdf) -}# for outdir - -system(paste0("mkdir -p figs")) -dropstr<-ifelse(omit, "dropcurrent_", "") -figfile<-sprintf("figs/%s%s_LOOCV_errors.pdf",dropstr,input) -print(figfile) -pdf(figfile, width=8, height=4.5) -p<-ggplot(df, aes(x=dose, y=error, color=drop)) -p<-p+stat_summary(fatten=3, fun.data=mean_sdl) -p<-p+ylab("Prediction error") -p<-p+xlab(~"Concentration (\u00D7"~C[max]*")") -p<-p+theme_bw() -if(!omit) - p<-p+theme(legend.position="none") -print(p) -dev.off() +# File: compute_TdP_error.R +# Author: Kelly Chang +# Zhihua Li +# Date: Nov 2017 +# Version: 1.0 +# +# Description: R script to perform Torsade de Pointes (TdP) risk +# classification using ordinal logistic regression and +# leave-one-out cross validation (LOOCV). +# For help, run this script with command line option "-h". +# + +#--- specify command line arguments +library(optparse) +parser<-OptionParser() +parser<-add_option(parser, c("-t", "--tdpfile"), default="../nanion8rand_AP_simulation/data/newCiPA.csv", help="Filepath to drug list") +parser<-add_option(parser, c("-u", "--uncertainty"), default=TRUE, action="store_true", help="Flag to use simulations with uncertainty inputs for training and cross-validation") +parser<-add_option(parser, c("-o", "--omit"), default=FALSE, action="store_true", help="Flag to use drug simulations with ionic current effects omitted") +parser<-add_option(parser, c("-i", "--individual"), default=TRUE, action="store_true", help="Flag to output the classification for each individual") +parser<-add_option(parser, c("-m", "--metric"), default="qNet", help="the metric to use") +parser<-add_option(parser, c("-d", "--APpath"), default="../nanion8rand_AP_simulation/", help="Filepath to the metrics.rds") +args<-parse_args(parser) + +set.seed(100) + +#--- load libraries +library(rms) +library(ggplot2) +print(sessionInfo()) + +#--- get arguments +tdpfile<-args$tdpfile +useUQ<-args$uncertainty +omit<-args$omit +outputI<-args$individual +metric<-args$metric +APpath<-args$APpath + +# setup output directory +input<-ifelse(useUQ, "uncertainty", "fixed") +simdir<-sprintf("results/%s/",input) +if(omit){ + outdir_vec<-Sys.glob(paste0(simdir,"drop_*/")) +}else{ + outdir_vec<-simdir +} + +#--- function to try ordinal logistic regression +try_lrm<-function(datadf, tol=1e-10, maxit=1e6){ + try({ lrm(CiPA~get(metric), data=datadf, penalty=0, x=TRUE, y=TRUE, tol=tol, maxit=maxit) }) +} + +#--- read in drug TdP risk +drugtable<-read.csv(tdpfile) +drugnames<-as.character(drugtable$drug) + +#--- do logistic regression +for(outdir in outdir_vec){ + # read in dataset + if(metric =="qNet"){ + infile<-paste0(APpath,outdir,"metrics.rds") + df<-readRDS(infile) + df<-df[df$drug!="control" & df$dose!=0,] + df<-df[!is.na(df$max_dv),] # depolarization failures + df<-df[(df$dose)%in%c("1","2","3","4"),] #very important cause some drugs may have additional doses in metrics.rds!!!! +#print(head(df)) + if(input == "uncertainty"){ + qNettable<-aggregate(df[,metric], list(df$drug,df$sample), mean) #name is qNettable, but it could be any metric +colnames(qNettable)<-c("drug","sample",metric) + }else{ + qNettable<-aggregate(df[,metric], list(df$drug), mean) +colnames(qNettable)<-c("drug","qNet") + qNettable$sample <- NA + } +print(head(qNettable)) +print(class(qNettable$qNet)) +if(metric == "qNet") +qNettable$qNet<-qNettable$qNet/1000 + df<-merge(qNettable, drugtable[,c("drug","CiPA")], by.x="drug", by.y="drug") + + } + + #organize df + df$drug<-factor(df$drug,levels=drugnames) + df<-df[order(df$drug,df$sample),] + df$CiPA<-ordered(df$CiPA) + + # perform logistic regression and leave-one-out cross validation for each drug + errdf<-data.frame() + probdf<-data.frame() + allprobdf<-data.frame() #corresponding to cvdf but without LOOCV + cverrdf<-data.frame() + cvprobdf<-data.frame() + cvdf<-data.frame() #used to store individual sample's probs + + for(drug in c(NA,drugnames)){ + + # fit logistic regression model + if(is.na(drug)){ + print("training on all drugs") + datadf<-df[, c("drug","CiPA","sample",metric)] + testdf<-datadf + traindf<-datadf + }else{ + print(sprintf("cross validating with %s",drug)) + testdf<-datadf[datadf$drug==drug,] + traindf<-datadf[datadf$drug!=drug,] + if(nrow(testdf)==0){ + print("no data to test! skipping...") + next + } + } + + lmod<-try_lrm(traindf) + print(lmod) + if(inherits(lmod, "try-error")){ + if(is.na(drug)){ + print("fitting all drugs failed? skipping...") + break + }else{ + print(sprintf("cross validating with %s failed! skipping...",drug)) + next + } + } + + # save coefficients + print(sprintf("Convergence failure: %s",lmod$fail)) + cf<-coefficients(lmod) + cfvec<-c() + for(kint in 1:(length(cf)-1)) + cfvec[[paste0("intercept",kint)]]<-cf[[kint]] + cfvec[["slope"]]<-cf[[length(cf)]] + + # get training/prediction error + y0<-testdf$CiPA + if(is.na(drug)){ + probs<-predict(lmod, type="fitted.ind") + }else{ + probs<-matrix(predict(lmod, newdata=testdf, type="fitted.ind"), ncol=length(levels(y0))) + } + + #sometimes APD90 is NA, giving rise to NA in probs + idx<- apply(probs,1,function(x) any(is.na(x))) + probs[idx,]<- matrix(rep(c(0,0,1),sum(idx)),nrow=sum(idx),byrow=T) #this is to assume all NAs are due to repolarization failure, and thus high risk + + yPred<-apply(probs,1, function(x) which.max(x)) + pred_err<-mean(abs(yPred-as.integer(y0))) + + # append to data frame + if(is.na(drug)){ + newrow<-data.frame( t(cfvec), error=pred_err) + errdf<-rbind(errdf,newrow) + + allprobdf<-cbind(traindf[,1:3],probs); colnames(allprobdf)<-c("drug","CiPA","sample","low_prob","inter_prob","high_prob") + + }else{ + newrow<-data.frame(drug=drug, t(cfvec), error=pred_err) + cverrdf<-rbind(cverrdf,newrow) + if(outputI) { #make detailed prob table here + testdf<-cbind(testdf, high_prob=probs[,3], inter_prob=probs[,2], low_prob=probs[,1], pred_err=abs(yPred-as.integer(y0))) + cvdf<-rbind(cvdf,testdf) + }#if outputI + } + + # detailed results + newcols<-sapply(levels(y0), function(s) paste0("predict_",s), USE.NAMES=F) + predictions<-factor(newcols[yPred], levels=newcols) + tmpdf<-as.data.frame(tapply(1:nrow(testdf), list(drug=as.character(testdf$drug), predict=predictions), FUN=length)) + tmpdf[is.na(tmpdf)]<-0 + tmpdf$drug<-factor(rownames(tmpdf), levels=drugnames) + + tmpdf<-merge(drugtable[,c("drug","CiPA")],tmpdf) + tmpdf<-tmpdf[order(tmpdf$drug),] + rownames(tmpdf)<-NULL + if(is.na(drug)){ + probdf<-rbind(probdf,tmpdf) + + }else{ + cvprobdf<-rbind(cvprobdf,tmpdf) + } + + } # for drug + + + outfile<-paste0(outdir,metric,"training_probs.csv") #here training means "trained on all drugs" + write.csv(probdf, outfile, row.names=F, quote=F) + print(head(probdf)) + + outfile<-paste0(outdir,metric,"training_errors.csv") + write.csv(errdf, outfile, row.names=F, quote=F) + print(head(errdf)) + + outfile<-paste0(outdir,metric,"LOOCV_probs.csv") + write.csv(cvprobdf, outfile, row.names=F, quote=F) + print(head(cvprobdf)) + + outfile<-paste0(outdir,metric,"LOOCV_errors.csv") + write.csv(cverrdf, outfile, row.names=F, quote=F) + print(head(cverrdf)) + + if(outputI){ + outfile<-paste0(outdir,metric,"LOOCV_allprobes.csv") + write.csv(cvdf, outfile, row.names=F, quote=F) + print(head(cvdf)) + outfile<-paste0(outdir,metric,"training_allprobes.csv") + write.csv(allprobdf,outfile,row.names=F,quote=F) + } +}# for outdir diff --git a/LOOCV/plotTableLOOCV.R b/LOOCV/plotTableLOOCV.R new file mode 100644 index 0000000..c036e7d --- /dev/null +++ b/LOOCV/plotTableLOOCV.R @@ -0,0 +1,118 @@ +rm(list=ls()) + +library(rms) +require(ROCR) +set.seed(1) +library(ggplot2) +scale<-"sara" +CL<-2000 +metricv<-c("qNet") # +datasetvec<-c("nanion8rand") #AP_simulation name. for nanion8rand_AP_simulation is "nanion8rand" +measurevec<-c("AUC1","AUC2","Pairwise Correct Rate","LR+ of Threshold 1", "LR- of Threshold 1", + "LR+ of Threshold 2", "LR- of Threshold 2", "Mean Classification Error") + +all28df<-data.frame(metric=c("AUC1","AUC2","Pairwise","LR1plus","LR1minus","LR2plus","LR2minus","Mean_error")) +colordf<-data.frame( + drug = c("dofetilide","bepridil","quinidine","sotalol","ibutilide", "azimilide", "disopyramide", "vandetanib", + "cisapride","terfenadine","ondansetron","chlorpromazine","clarithromycin","risperidone","domperidone","astemizole", "pimozide","droperidol","clozapine", + "ranolazine","mexiletine","diltiazem","verapamil","metoprolol","loratadine","tamoxifen","nifedipine","nitrendipine"), + classidx=c(rep(2,8),rep(1,11),rep(0,9)), + coloridx=c(rep(1,8),rep(3,11),rep(2,9)), + isTraining=c(1,1,1,1,0,0,0,0, + 1,1,1,1,0,0,0,0,0,0,0, + 1,1,1,1,0,0,0,0,0) + ) + +for(dataset in datasetvec){ + for(metric in metricv){ + altstr<-paste0(dataset,"_",metric) + altvec<-0 +valdf<-read.delim(paste0("results/uncertainty/",metric,"LOOCV_allprobes.csv"),sep=",",as.is=T) + +valdf$classidx<-valdf$CiPA +valdf$class<- 2- valdf$classidx +# +forROC1<-valdf[,c("inter_prob","classidx","sample", "drug")] + forROC1$inter_prob<- rowSums(valdf[,c("inter_prob","high_prob")]) + colnames(forROC1)[1]<-"positive_prob" + forROC1$class <- forROC1$classidx > 0 # now high and intermediate are both "TRUE" or "positive" + forROC1predictions<-do.call(cbind,by(forROC1[,"positive_prob"],forROC1$sample,function(x) x)) + forROC1labels<-do.call(cbind,by(forROC1$class,forROC1$sample,function(x) x)) + ROC1obj<-prediction(forROC1predictions, forROC1labels) + AUC1<-performance(ROC1obj,"auc") #the value is in y.values + AUC1dist<-formatC(quantile(unlist(AUC1@y.values),prob=c(0.025,0.5,0.975)),digits=3,format="g",flag="-",drop0trailing=T) + altvec<-c(altvec,paste0(AUC1dist[2]," (",AUC1dist[1]," - ",AUC1dist[3],")")) + +forROC2<-valdf[,c("high_prob","classidx","sample","drug")] + colnames(forROC2)[1]<-"positive_prob" + forROC2$class <- forROC2$classidx > 1 + forROC2predictions<-do.call(cbind,by(forROC2[,"positive_prob"],forROC2$sample,function(x) x)) + forROC2labels<-do.call(cbind,by(forROC2$class,forROC2$sample,function(x) x)) + ROC2obj<-prediction(forROC2predictions, forROC2labels) + AUC2<-performance(ROC2obj,"auc") #the value is in y.values + AUC2dist<-formatC(quantile(unlist(AUC2@y.values),prob=c(0.025,0.5,0.975)),digits=3,format="g",flag="-",drop0trailing=T) + altvec<-c(altvec,paste0(AUC2dist[2]," (",AUC2dist[1]," - ",AUC2dist[3],")")) + +#pairwise ranking +pairwisefun<- function(fulltable){ +cmb <- combn(seq_len(nrow(fulltable)), 2) +mergedtable<-cbind(fulltable[cmb[1,],], fulltable[cmb[2,],]) +validpairidx<- (mergedtable[,7]!=mergedtable[,16])&(!mergedtable[,9]|!mergedtable[,18]) +correctidx1<- ((mergedtable[,7]>mergedtable[,16])&(mergedtable[,6]mergedtable[,15])) #when predicted class are different +correctidx2<- (mergedtable[,6]==1)&(mergedtable[,15]==1)&(((mergedtable[,7]>mergedtable[,16])&(mergedtable[,3]>mergedtable[,12]))|((mergedtable[,7]mergedtable[,16])&(mergedtable[,5]mergedtable[,14]))) #when predicted class are both low +correctidx4<- (mergedtable[,6]==2)&(mergedtable[,15]==2)&(((mergedtable[,7]>mergedtable[,16])&(mergedtable[,5]mergedtable[,14]))) #when predicted class are both intermediate +correctidx<- correctidx1|correctidx2|correctidx3|correctidx4 +sum(validpairidx&correctidx)/sum(validpairidx) +} +tempdf<-valdf[,c("drug","sample","high_prob","inter_prob","low_prob")]; +tempdf$pred<- apply(valdf[,5:7],1,which.max) #note here 1 is high, 2 is int, 3 is low +tempdf<-merge(tempdf,colordf,by="drug") +distpairwise<-by(tempdf, valdf$sample, pairwisefun) + pairwisedist<-formatC(quantile(unlist(distpairwise),prob=c(0.025,0.5,0.975)),digits=3,format="g",flag="-",drop0trailing=T) + altvec<-c(altvec,paste0(pairwisedist[2]," (",pairwisedist[1]," - ",pairwisedist[3],")")) + +sens1<- with(valdf, sum(classidx>0&(low_prob0)) +spec1<- with(valdf, sum(classidx==0&low_prob>high_prob&low_prob>inter_prob)/sum(classidx==0)) +LRplus1<- sens1/(1-spec1) +LRminus1<- (1-sens1)/spec1 + +sens2<- with(valdf, sum(classidx==2&low_probhigh_prob|inter_prob>high_prob))/sum(classidx<2)) +LRplus2<- sens2/(1-spec2) +LRminus2<- (1-sens2)/spec2 + +#try using random sampling to calculate LR +sens1UQ<- by(valdf, valdf$sample, function(x) with(x, sum(classidx>0&(low_prob0))) +spec1UQ <- by(valdf, valdf$sample, function(x) with(x,sum(classidx==0&low_prob>high_prob&low_prob>inter_prob)/sum(classidx==0))) +LRplus1UQ<- (sens1UQ+rnorm(length(sens1UQ),1e-6,1e-12))/(1-spec1UQ+rnorm(length(sens1UQ),1e-6,1e-12)) + LRplus1dist<-formatC(quantile(unlist(LRplus1UQ),prob=c(0.025,0.5,0.975)),digits=3,format="g",flag="-",drop0trailing=T) + altvec<-c(altvec,paste0(LRplus1dist[2]," (",LRplus1dist[1]," - ",LRplus1dist[3],")")) +LRminus1UQ<- (1-sens1UQ+rnorm(length(sens1UQ),1e-6,1e-12))/(spec1UQ+rnorm(length(sens1UQ),1e-12,1e-12)) + LRminus1dist<-formatC(quantile(unlist(LRminus1UQ),prob=c(0.025,0.5,0.975)),digits=3,format="g",flag="-",drop0trailing=T) + altvec<-c(altvec,paste0(LRminus1dist[2]," (",LRminus1dist[1]," - ",LRminus1dist[3],")")) + +sens2UQ<- by(valdf, valdf$sample, function(x) with(x, sum(classidx==2&low_probhigh_prob|inter_prob>high_prob))/sum(classidx<2))) +LRplus2UQ<- (sens2UQ+rnorm(length(sens2UQ),1e-6,1e-12))/(1-spec2UQ+rnorm(length(sens2UQ),1e-6,1e-12)) + LRplus2dist<-formatC(quantile(unlist(LRplus2UQ),prob=c(0.025,0.5,0.975)),digits=3,format="g",flag="-",drop0trailing=T) + altvec<-c(altvec,paste0(LRplus2dist[2]," (",LRplus2dist[1]," - ",LRplus2dist[3],")")) +LRminus2UQ<- (1-sens2UQ+rnorm(length(sens2UQ),1e-6,1e-12))/(spec2UQ+rnorm(length(sens2UQ),1e-6,1e-12)) + LRminus2dist<-formatC(quantile(unlist(LRminus2UQ),prob=c(0.025,0.5,0.975)),digits=3,format="g",flag="-",drop0trailing=T) + altvec<-c(altvec,paste0(LRminus2dist[2]," (",LRminus2dist[1]," - ",LRminus2dist[3],")")) + + meanerror<- mean(valdf$pred_err) + lowererror<- meanerror - 1.96* sd(valdf$pred_err)/sqrt(dim(valdf)[1]); uppererror<-meanerror+1.96*sd(valdf$pred_err)/sqrt(dim(valdf)[1]) + errordist<-formatC(c(meanerror,lowererror,uppererror),digits=3,format="g",flag="-",drop0trailing=T) + altvec<-c(altvec,paste0(errordist[1]," (",errordist[2]," - ",errordist[3],")")) + + altvec<-altvec[-1] + all28df[,altstr]<-altvec + } + } + +write.table(all28df, "Result_PlotTableLOOCV/al28df.txt",col.names=T,row.names=F,sep="\t",quote=F) +table7<-data.frame(metric=rep(measurevec,each=length(datasetvec)), dataset=rep(datasetvec, length(measurevec)), + qNet=NA) +table7[,-1:-2]<- matrix(unlist(t(all28df[,-1])),nrow= length(measurevec)*length(datasetvec),byrow=T) +write.table(table7, "Result_PlotTableLOOCV/Table7.txt",col.names=T,row.names=F,sep="\t",quote=F) diff --git a/LOOCV/results/uncertainty/qNetLOOCV_allprobes.csv b/LOOCV/results/uncertainty/qNetLOOCV_allprobes.csv new file mode 100644 index 0000000..6a1163e --- /dev/null +++ b/LOOCV/results/uncertainty/qNetLOOCV_allprobes.csv @@ -0,0 +1,16001 @@ +drug,CiPA,sample,qNet,high_prob,inter_prob,low_prob,pred_err 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+158.460391427582,135.92593611248,-2335.48092408374,0.0375625 diff --git a/LOOCV/results/uncertainty/qNettraining_probs.csv b/LOOCV/results/uncertainty/qNettraining_probs.csv new file mode 100644 index 0000000..8fc9415 --- /dev/null +++ b/LOOCV/results/uncertainty/qNettraining_probs.csv @@ -0,0 +1,9 @@ +drug,CiPA,predict_0,predict_1,predict_2 +azimilide,2,0,0,2000 +bepridil,2,1,153,1846 +clarithromycin,1,14,1986,0 +ranolazine,0,1990,10,0 +risperidone,1,216,1784,0 +tamoxifen,0,1870,130,0 +terfenadine,1,0,1924,76 +verapamil,0,2000,0,0 diff --git a/README.md b/README.md index 58bb3ee..f8a9f55 100644 --- a/README.md +++ b/README.md @@ -1,11 +1,11 @@ # Comprehensive *in vitro* Proarrhythmia Assay (CiPA)
*in silico* model -R code used to perform uncertainty quantification for the CiPA *in silico* model +R code used to perform Lab-specific Calibration and Validation Strategy for the CiPA *in silico* model ## Authors -Kelly Chang, Zhihua Li +Xiaomei Han, Mohammadreza Samieegohar, Zhihua Li ## Requirements -This code was developed with R version 3.3 and uses the following packages: +This code was developed with R version 3.5 and uses the following packages: * optparse (version 1.4.4) * deSolve (version 1.14) * cmaes (version 1.0-11) @@ -14,14 +14,31 @@ This code was developed with R version 3.3 and uses the following packages: * ggplot2 (version 1.14) ## Uncertainty characterization -[hERG_fitting/](hERG_fitting/) contains code to perform uncertainty characterization for drug binding kinetics of the human Ether-à-go-go-Related Gene (hERG) channel gating model ([README.md](hERG_fitting/README.md)). +[hERG_fitting/](hERG_fitting/) contains code to perform uncertainty characterization for drug binding kinetics of the human Ether-Ã -go-go-Related Gene (hERG) channel gating model ([README.md](hERG_fitting/README.md)). +Note: compared to the previous/original hERG data in CiPAORdv1.0 (Li, Zhihua, et al.* 2019)( https://github.com/FDA/CiPA/tree/Model-Validation-2018/hERG_fitting/data) a new filtering step was applied to select only cells with less than 20% background current. More information is provided in the supplementary materials of the paper “A Lab-specific Calibration and Validation Strategy for Implementing Proarrhythmia Risk Prediction Models: A Case Study of CiPA” (submitted). + +[chantest_Hill_fitting/](chantest_Hill_fitting/) contains code to perform uncertainty characterization of dose-response curves for three ionic currents (ICaL, INaL and INa). 28 CiPA drugs data provides by Charles Rivers Laboratories. ([README.md]( chantest_Hill_fitting/README.md)). +Note: compared to the previous/original dose response data from Charles Rivers Laboratories in CiPAORdv1.0 (Li, Zhihua, et al.* 2019) (https://github.com/FDA/CiPA/tree/Model-Validation-2018/Hill_Fitting/data), a new filtering step was applied to replace cells with less than 60% block at highest concentration. This filtering step has resulted in the replacement of the original verapamil data on ICaL by new data from the same company. More information is provided in the supplementary materials of the paper “A Lab-specific Calibration and Validation Strategy for Implementing Proarrhythmia Risk Prediction Models: A Case Study of CiPA” (submitted). + +[nanion_Hill_fitting/](nanion_Hill_fitting/) contains code to perform uncertainty characterization of dose-response curves for three ionic currents (ICaL, INaL and INa). 27 CiPA drugs data provides by Nanion Technologies GmbH.([README.md](nanion_Hill_fitting/README.md)). + +Note: In both nanion and chantest Hill_fittings, the Markov Chain Monte Carlo (MCMC) algorithm was updated from the previous version (https://github.com/FDA/CiPA/blob/Model-Validation-2018/Hill_Fitting/IC50_mcmc.R). The updated code is under the Hill fitting folders for Nanion and Chantest. More information is provided in the supplementary material of the paper “A Lab-specific Calibration and Validation Strategy for Implementing Proarrhythmia Risk Prediction Models: A Case Study of CiPA” (submitted). -[Hill_fitting/](Hill_fitting/) contains code to perform uncertainty characterization of dose-response curves for six ionic currents (ICaL, INaL, INa, Ito, IKs, and IK1) ([README.md](Hill_fitting/README.md)). ## Uncertainty propagation -[AP_simulation/](AP_simulation/) contains code to propagate uncertainty in drug effects to action potential (AP) simulations. Results from [hERG_fitting/](hERG_fitting/) and [Hill_fitting/](Hill_fitting/) are used as model inputs ([README.md](AP_simulation/README.md)). +[chantest_AP_simulation/](chantest_AP_simulation/) contains code to propagate uncertainty in drug effects to action potential (AP) simulations. Results from [hERG_fitting/](hERG_fitting/) and [chantest_Hill_fitting/](chantest_Hill_fitting/) are used as model inputs ([README.md](chantest_AP_simulation/README.md)). + +[nanion8rand_AP_simulation/](nanion8rand_AP_simulation/) contains code to propagate uncertainty in drug effects to action potential (AP) simulations. Results from [hERG_fitting/](hERG_fitting/) and [nanion_Hill_fitting/](nanion_Hill_fitting/) are used as model inputs ([README.md](nanion_Hill_fitting/README.md)). + + +[sens/]( sens/) contains codes to perform sensitivity analysis of all 28 drugs where a small perturbation was applied to each drug’s torsade metric score, and the corresponding change in the classification thresholds are recorded. This step filtered all 28 drugs to a list of top influential drugs that will be selected as the candidate list to screen for calibration drugs. Results from [chantest_AP_simulation/](chantest_AP_simulation/) are used as inputs ([README.md]([sens/](sens/))). + +[LOOCV/](LOOCV/) contains codes to perform leave-one-out-cross-validation and compute the 8 performance metric values using calibration drugs.. ## DISCLAIMER This software and documentation were developed by the authors in their capacities as Oak Ridge Institute for Science and Education (ORISE) research fellows at the U.S. Food and Drug Administration (FDA). FDA assumes no responsibility whatsoever for use by other parties of the Software, its source code, documentation or compiled executables, and makes no guarantees, expressed or implied, about its quality, reliability, or any other characteristic. Further, FDA makes no representations that the use of the Software will not infringe any patent or proprietary rights of third parties. The use of this code in no way implies endorsement by the FDA or confers any advantage in regulatory decisions. + +## References +* Li, Zhihua, Bradley J. Ridder, Xiaomei Han, Wendy W. Wu, Jiansong Sheng, Phu N. Tran, Min Wu et al. "Assessment of an in silico mechanistic model for proarrhythmia risk prediction under the ci pa initiative." Clinical Pharmacology & Therapeutics 105, no. 2 (2019): 466-475. https://doi.org/10.1002/cpt.1184 diff --git a/chantest_AP_simulation/AP_fixed_jobs.sh b/chantest_AP_simulation/AP_fixed_jobs.sh new file mode 100644 index 0000000..44a0650 --- /dev/null +++ b/chantest_AP_simulation/AP_fixed_jobs.sh @@ -0,0 +1,27 @@ +#$ -cwd +#$ -l h_rt=24:00:00 +#$ -l h_vmem=2G +#$ -S /bin/sh +#$ -j y +#$ -pe thread 1 +#$ -t 1-6 +#$ -N fixed +#$ -o logfiles + +#source /home/kelly.chang/R/source.sh + +DRUGNAMES=(\ + dofetilide bepridil sotalol quinidine \ + cisapride terfenadine ondansetron chlorpromazine \ + verapamil ranolazine mexiletine diltiazem \ + ibutilide disopyramide vandetanib azimilide \ + droperidol domperidone clarithromycin risperidone pimozide clozapine \ + metoprolol loratadine tamoxifen nifedipine nitrendipine \ + astemizole + ) +IDX=$((SGE_TASK_ID-1)) +DRUG=${DRUGNAMES[IDX]} + +DOSE="0.16,0.32,0.64,0.96,1.28,2.56" + +Rscript AP_simulation.R -d "$DRUG" -c "../pureManual_AP_simulation/data/newCiPA.csv" -b "/home/xiaomei.han/cardio/UQ/hERG_fitting/results/" -m "/scratch/xiaomei.han/UQ/chantest_Hill_fitting/results" -x "$DOSE" >& logfiles/"$JOB_NAME".o"$JOB_ID"."$SGE_TASK_ID" diff --git a/AP_simulation/AP_simulation.R b/chantest_AP_simulation/AP_simulation.R similarity index 94% rename from AP_simulation/AP_simulation.R rename to chantest_AP_simulation/AP_simulation.R index ac9eb3d..8f23742 100644 --- a/AP_simulation/AP_simulation.R +++ b/chantest_AP_simulation/AP_simulation.R @@ -1,6 +1,6 @@ # File: AP_simulation.R # Author: Kelly Chang -# Date: Oct 2017 +# Date: Sep 2017 # Version: 1.0 # # Description: R script to run action potential (AP) simulations with the @@ -17,7 +17,7 @@ # proc_start<-proc.time() - +#.libPaths("/home/kelly.chang/R/x86_64-pc-linux-gnu-library/3.3") options(warn=1) #--- specify command line arguments @@ -45,7 +45,7 @@ print(sessionInfo()) isWindows<-Sys.info()[["sysname"]]=="Windows" #--- get arguments -drug<-args$drug +drug<-tolower(args$drug) sampstr<-args$sample dosestr<-args$dose omit<-args$omit @@ -107,24 +107,19 @@ extension<-ifelse(isWindows, ".dll", ".so") dyn.load(paste0("models/newordherg_qNet",extension)) #--- get therapeutic concentration (Cmax) -if(drug=="control"){ - cmax<-0 -}else{ - if(!file.exists(cmaxfile)){ - cmax<-1 - print(sprintf("%s not found! Interpreting dose as nanomolar concentrations.")) +drugtable<-read.csv(cmaxfile) +cmax<-drugtable[tolower(as.character(drugtable$drug))==drug,"therapeutic"] # should be in nanomolar +if(length(cmax)==0){ + if(drug=="control"){ + cmax<-0 }else{ - drugtable<-read.csv(cmaxfile) - cmax<-drugtable[as.character(drugtable$drug)==drug,"therapeutic"] # should be in nanomolar - if(length(cmax)==0){ - cmax<-1 - print(sprintf("Cmax undefined, interpreting dose as nanomolar concentrations.")) - }else if(length(cmax)==1){ - print(sprintf("Cmax set to %g nM, interpreting dose as multiples of Cmax.",cmax)) - }else{ - stop("Multiple entries for %s therapeutic concentration!",drug) - } + cmax<-1 + print(sprintf("Cmax undefined, interpreting dose as nanomolar concentrations.")) } +}else if(length(cmax)==1){ + print(sprintf("Cmax set to %g nM, interpreting dose as multiples of Cmax.",cmax)) +}else{ + stop("Multiple entries for %s therapeutic concentration!",drug) } #--- run simulations, optionally removing drug effects on one current at a time diff --git a/chantest_AP_simulation/AP_uncertainty_job.sh b/chantest_AP_simulation/AP_uncertainty_job.sh new file mode 100644 index 0000000..5e5a1b2 --- /dev/null +++ b/chantest_AP_simulation/AP_uncertainty_job.sh @@ -0,0 +1,33 @@ +#$ -cwd +#$ -l h_rt=24:00:00 +#$ -l h_vmem=2G +#$ -S /bin/sh +#$ -j y +#$ -pe thread 1 +WORKERPERDRUG=1000 +#$ -t 1-28000 #num. drugs x WORKERPERDRUG +#$ -N uncertainty +#$ -o logfiles + +#source /home/kelly.chang/R/source.sh + +DRUGNAMES=(\ + dofetilide bepridil sotalol quinidine \ + cisapride terfenadine ondansetron chlorpromazine \ + verapamil ranolazine mexiletine diltiazem \ + ibutilide disopyramide vandetanib azimilide \ + droperidol domperidone clarithromycin risperidone pimozide clozapine \ + metoprolol loratadine tamoxifen nifedipine nitrendipine \ + astemizole + ) +IDX=$(((SGE_TASK_ID-1)%$WORKERPERDRUG+1)) +SAMPLEPERWORKER=2000/$WORKERPERDRUG +ISTART=$(((IDX-1)*$SAMPLEPERWORKER+1)) +ISTOP=$((IDX*$SAMPLEPERWORKER)) +ISTR="$ISTART"-"$ISTOP" +IDX2=$(((SGE_TASK_ID-IDX)/$WORKERPERDRUG)) +DRUG=${DRUGNAMES[IDX2]} + +DOSE="1-4" + +Rscript AP_simulation.R -d "$DRUG" -x "$DOSE" -i "$ISTR" -c "data/newCiPA.csv" >& logfiles/"$JOB_NAME".o"$JOB_ID"."$SGE_TASK_ID" diff --git a/chantest_AP_simulation/README.docx b/chantest_AP_simulation/README.docx new file mode 100644 index 0000000..a1c4ee1 Binary files /dev/null and b/chantest_AP_simulation/README.docx differ diff --git a/chantest_AP_simulation/data/newCiPA.csv b/chantest_AP_simulation/data/newCiPA.csv new file mode 100644 index 0000000..bbaaf88 --- /dev/null +++ b/chantest_AP_simulation/data/newCiPA.csv @@ -0,0 +1,34 @@ +drug,CaLh,CaLIC50,hERGh,hERGIC50,Itoh,ItoIC50,IK1h,IK1IC50,IKsh,IKsIC50,Late_sodiumh,Late_sodiumIC50,Peak_sodiumh,Peak_sodiumIC50,freedrugStrauss,freedrug,CiPA,wendyhERGIC50,wendyhERGh,therapeutic +quinidine,0.589208762,51592.34546,1.025055937,343.3833442,1.28,3487.43,0.35,39589919,1.36305201,4898.902693,1.34,9416.98,1.493724623,12329.0369,0.8429,3.237,2,992,0.8199,3237 +bepridil,0.648641112,2808.055446,0.876512415,149.2759972,3.54,8594.04,0,0,0.706125727,28628.30722,1.42,1813.91,1.163653755,2929.272579,0.031513648,0.035,2,50,0.92,33 +dofetilide,1.16,260.32,0.634046073,1.461870897,0.77,18.82,0.77,394.26,0,0,0.26,753160.41,0.89,380.5,0.00214014,0.002,2,4.87,0.93,2 +sotalol,0.86510548,7061526.92,0.935302197,86369.31485,0.66,43143455.32,1.204371947,3050260.348,1.167218474,4221855.541,0,0,0.51,1.14e+09,14.68644441,14.69,2,110600,0.7678,14690 +chlorpromazine,0.844107446,8191.915057,0.886399875,1118.462175,0.37,17616711.07,0.687753884,9269.939647,0,0,0.94,4559.55,1.995393819,4535.599203,0.034474995,0.038,1,929.2,0.85,38 +cisapride,0.43,9258075.75,1.339122491,11.81658075,0.24,219112.35,0.51,29498.04,0.29,81192862,0,0,0,0,0.002575384,0.003,1,10.1,0.73,2.6 +terfenadine,0.660062997,700.4003343,0.585067977,18.50660197,0.26,239960.82,0,0,0.54,399754,0.6,20056.02,1.015027823,4803.18322,0.00028,0.009,1,23,0.6468,4 +ondansetron,0.752643717,22551.37898,0.959256556,1492.45282,0.99,1023377.67,0,0,0.65344884,569807.4225,1.03,19180.8,1.019672018,57666.4315,0.3584,0.3584,1,1320,0.9134,139 +diltiazem,0.714205489,112.1303862,0.786245912,6568.586333,0.17,2821526904,0,0,0,0,0.68,21868.47,0.70224184,110859.7524,0.127500111,0.122,0,13150,0.9254,122 +flecainide,1.382101059,25599.33813,0.837036709,692.0893213,0,0,0,0,0,0,0.767924824,9581.328949,1.894151433,6677.440617,0.752895753,0.753,0,0,0,0 +mexiletine,1.030674129,38243.58316,2.589797137,24367.70617,0,0,0,0,0,0,1.41,8956.75,0,0,2.503244947,4.129,0,28880,0.9246,4129 +ranolazine,0,0,0.83574875,6490.474782,0,0,0,0,0.52,36155020,0.94,7884.47,1.424957384,68774.53398,1.948207649,2.4,0,8270,0.8866,1948.2 +verapamil,1.096809669,201.7832944,1.095862939,498.6172819,0.82,13429.25,0.27,348913215.6,0,0,1.03,7028.01,0,0,0.045003767,0.088,0,288,0.96,81 +risperidone,0.585,1465,0.665,137.3,0,0,0,0,0,0,0,0,0.371,24079303,0.002,0.002,1,298,0.42,1.81 +metoprolol,0.533,3260877,0.88,20120,0,0,0,0,0,0,0.66,627433,0.6,30103,1.8,1.8,0,29570,0.66,1800 +ibutilide,0.829,38663,1.095,14.75,0,0,0,0,0,0,0,0,1.6,35213,100,100,2,35.5,1.37,100 +domperidone,0.486,74.11,0.776,131.4,0,0,0,0,0,0,0.57,1162308,0.88,69487,20,20,1,23.8,0.54,19 +clarithromycin,0.87,38012,0.71,61932,0,0,0,0,0,0,1.309,3001951,0.8864,1089035,1206,1206,1,14910,0.62,1206 +astemizole,1.22,557.2,0.526,10.08,0,0,0,0,0,0,0,0,0.735,5498,0.3,0.3,1,33.3,0.71,0.26 +azimilide,0.701,12966,0.746,827,0,0,0,0,0,0,0.445,3536723,0.586,608961,70,70,2,233,0.58,70 +disopyramide,0.677,32717,0.845,11200,0,0,0,0,0,0,2.017,366539,1.293,191760,700,700,2,6653,0.4456,742 +droperidol,1.147,3320,1.114,40.5,0,0,0,0,0,0,0,0,0,0,16,16,1,71.319,0.502,6.33 +pimozide,0.449,64.35,0.701,33.78,0,0,0,0,0,0,0.909,7473,0.451,10440,0.431,0.431,1,1.912,0.383,0.431 +vandetanib,0.716,6058,0.804,251.9,0,0,0,0,0,0,0.294,215377568,1.048,175346,255.4,255.4,2,280.9,0.733,255.4 +tamoxifen,0.757,5704,0.773,3503,0,0,0,0,0,0,0,0,0.658,122208,21,21,0,609,0.92,21 +loratadine,0.56,703,0.622,26825,0,0,0,0,0,0,0,0,0.536,520029,0.45,0.45,0,4388.5,0.685,0.45 +clozapine,0.924,5465,0.726,2620,0,0,0,0,0,0,1.337,76920,0.578,254597,71,71,1,1820,0.886,71 +nifedipine,0.666,11.49,0.743,141260,0,0,0,0,0,0,1.595,69958,1.113,28441,7.7,7.7,0,0,0,7.7 +nitrendipine,0.4757,38.37,0.5225,19744,0,0,0,0,0,0,0,0,0.5766,21939,3.02,3.02,0,0,0,3.02 +verapamil_1_phase2,1.096809669,201.7832944,1.095862939,498.6172819,0.82,13429.25,0.27,348913215.6,0,0,1.03,7028.01,0,0,0.045003767,0.088,0,288,0.96,81 +verapamil_2_phase2,1.096809669,201.7832944,1.095862939,498.6172819,0.82,13429.25,0.27,348913215.6,0,0,1.03,7028.01,0,0,0.045003767,0.088,0,288,0.96,81 +verapamil3,1.096809669,201.7832944,1.095862939,498.6172819,0.82,13429.25,0.27,348913215.6,0,0,1.03,7028.01,0,0,0.045003767,0.088,0,288,0.96,81 +verapamil4,1.096809669,201.7832944,1.095862939,498.6172819,0.82,13429.25,0.27,348913215.6,0,0,1.03,7028.01,0,0,0.045003767,0.088,0,288,0.96,81 diff --git a/AP_simulation/funs/get_pars.R b/chantest_AP_simulation/funs/get_pars.R similarity index 73% rename from AP_simulation/funs/get_pars.R rename to chantest_AP_simulation/funs/get_pars.R index 4698eae..4357dfc 100644 --- a/AP_simulation/funs/get_pars.R +++ b/chantest_AP_simulation/funs/get_pars.R @@ -1,6 +1,6 @@ # File: get_pars.R # Author: Kelly Chang -# Date: Oct 2017 +# Date: Sep 2017 # Version: 1.0 # # Description: Helper R function that returns the model parameters for a @@ -18,8 +18,8 @@ get_pars<-function(parfile, drug="control", free=0, isamp=0, bootpath=NA, mcmcpa tmp<-read.table(parfile, col.names=c("param","value")) pars<-setNames(tmp$value, tmp$param) - pars["GKrfc"]=1.1 - pars["T"]=37 + pars["GKrfc"] = 1.1 #manual adjustment of IKr conductance + pars["T"] = 37 if(drug=="control"){ pars["Kmax"]=0 @@ -29,7 +29,17 @@ get_pars<-function(parfile, drug="control", free=0, isamp=0, bootpath=NA, mcmcpa }else{ # load drug pars if(isamp==0){ # use optimal parameters - tmp<-read.table(sprintf("%s/%s/pars.txt",bootpath,drug), header=FALSE, row.names=1) + hERGfile<- sprintf("%s/%s/pars.txt",bootpath,drug) + if(file.exists(hERGfile)){ + tmp<-read.table(sprintf("%s/%s/pars.txt",bootpath,drug), header=FALSE, row.names=1) + }else{ #file not copied yet + hERGpath<- paste0(bootpath,"/",drug) + system(paste0("mkdir -p ",hERGpath)) + system(paste0("cp ~/documents/cardio/HERGMMCMAES/Output/",drug,"/noE4031subtraction/pars.txt ",hERGpath,"/")) + tmp<-read.table(sprintf("%s/%s/pars.txt",bootpath,drug), header=FALSE, row.names=1) + } + rownames(tmp)[1]<-"Kmax" #if file copied from HERGMMCMAES fitting, then the parameter is called "Kf": need to change! + #and you need to change it here rather than within the brackets above! hERGpars<-t(tmp)[1,] IC50table<-read.csv(sprintf("%s/%s/IC50_optimal.csv",mcmcpath,drug)) }else{ # use uncertainty sample @@ -60,14 +70,10 @@ get_pars<-function(parfile, drug="control", free=0, isamp=0, bootpath=NA, mcmcpa pars["GNafc"]<- 1+(free/IC50table$INa_IC50)^IC50table$INa_h if("INaL_IC50"%in%colnames(IC50table) && !is.na(IC50table$INaL_IC50)) pars["GNaLfc"]<-1+(free/IC50table$INaL_IC50)^IC50table$INaL_h + if("ICaL_IC50"%in%colnames(IC50table) && !is.na(IC50table$ICaL_IC50)) pars["PCafc"]<- 1+(free/IC50table$ICaL_IC50)^IC50table$ICaL_h - if("IK1_IC50"%in%colnames(IC50table) && !is.na(IC50table$IK1_IC50)) - pars["GK1fc"]<- 1+(free/IC50table$IK1_IC50)^IC50table$IK1_h - if("IKs_IC50"%in%colnames(IC50table) && !is.na(IC50table$IKs_IC50)) - pars["GKsfc"]<- 1+(free/IC50table$IKs_IC50)^IC50table$IKs_h - if("Ito_IC50"%in%colnames(IC50table) && !is.na(IC50table$Ito_IC50)) - pars["Gtofc"]<- 1+(free/IC50table$Ito_IC50)^IC50table$Ito_h + }#if there is drug then do IC50s } diff --git a/chantest_AP_simulation/funs/get_randpars.R b/chantest_AP_simulation/funs/get_randpars.R new file mode 100644 index 0000000..a3e704b --- /dev/null +++ b/chantest_AP_simulation/funs/get_randpars.R @@ -0,0 +1,97 @@ +# File: get_pars.R +# Author: Kelly Chang +# Date: Sep 2017 +# Version: 1.0 +# +# Description: Helper R function that returns the model parameters for a +# specified simulation type (e.g. control, drug with fixed +# inputs, drug with uncertainty inputs, etc.). +# + +get_pars<-function(parfile, drug="control", free=0, isamp=0, bootpath=NA, mcmcpath=NA, drop=NA, optimized=TRUE){ + if(free<0) stop("get_pars(): negative concentration!") + if(isamp<0) stop("get_pars(): negative sample number!") + if(drug!="control" && (is.na(bootpath) || is.na(mcmcpath))) + stop("get_pars(): must specify bootpath and mcmcpath!") + + # read default parameters from file + tmp<-read.table(parfile, col.names=c("param","value")) + pars<-setNames(tmp$value, tmp$param) + + pars["GKrfc"] = 1.1 #manual adjustment of IKr conductance + pars["T"] = 37 + + if(drug=="control"){ + pars["Kmax"]=0 + pars["Kt"]=0 + + free=0 + }else{ + # load drug pars + if(isamp==0){ # use optimal parameters + hERGfile<- sprintf("%s/%s/pars.txt",bootpath,drug) + if(file.exists(hERGfile)){ + tmp<-read.table(sprintf("%s/%s/pars.txt",bootpath,drug), header=FALSE, row.names=1) + }else{ #file not copied yet + hERGpath<- paste0(bootpath,"/",drug) + system(paste0("mkdir -p ",hERGpath)) + system(paste0("cp ~/documents/cardio/HERGMMCMAES/Output/",drug,"/noE4031subtraction/pars.txt ",hERGpath,"/")) + tmp<-read.table(sprintf("%s/%s/pars.txt",bootpath,drug), header=FALSE, row.names=1) + } + rownames(tmp)[1]<-"Kmax" #if file copied from HERGMMCMAES fitting, then the parameter is called "Kf": need to change! + #and you need to change it here rather than within the brackets above! + hERGpars<-t(tmp)[1,] + + tmp<-read.csv(sprintf("%s/%s/boot_pars.csv",bootpath,drug)) + tmp<-apply(tmp, 2, function(x) median(sample(x,2000,replace=T))) + hERGpars<-unlist(tmp) + + IC50table<-read.csv(sprintf("%s/%s/IC50_optimal.csv",mcmcpath,drug)) + }else{ # use uncertainty sample + tmp<-read.csv(sprintf("%s/%s/boot_pars.csv",bootpath,drug)) + tmp<-apply(tmp, 2, function(x) sample(x,2000,replace=T)) + hERGpars<-unlist(tmp[isamp,]) + mcmctable<-read.csv(sprintf("%s/%s/IC50_samples.csv",mcmcpath,drug)) + IC50table<-mcmctable[isamp,] + } + + ispar<-names(hERGpars)%in%names(pars) + pars[names(hERGpars)[ispar]]<-hERGpars[ispar] + + pars["Kt"]<-3.5e-5 + if(!is.na(drop)){ + if(drop=="hERG"){ + pars["Kmax"]=0 + pars["Kt"]=0 + }else{ + IC50table[,paste0(drop,"_IC50")]<-NA + IC50table[,paste0(drop,"_h")]<-NA + } + } + + # IC50s + if(free > 0 ){ + print("Scaling ionic currents according to IC50 values.") + if("INa_IC50"%in%colnames(IC50table) && !is.na(IC50table$INa_IC50)) + pars["GNafc"]<- 1+(free/IC50table$INa_IC50)^IC50table$INa_h + if("INaL_IC50"%in%colnames(IC50table) && !is.na(IC50table$INaL_IC50)) + pars["GNaLfc"]<-1+(free/IC50table$INaL_IC50)^IC50table$INaL_h + + if("ICaL_IC50"%in%colnames(IC50table) && !is.na(IC50table$ICaL_IC50)) + pars["PCafc"]<- 1+(free/IC50table$ICaL_IC50)^IC50table$ICaL_h + + }#if there is drug then do IC50s + } + + if(optimized){ + print("Applying optimized scaling factors.") + pars["GKrfc"]<-pars["GKrfc"]/1.114 + pars["GNaLfc"]<-pars["GNaLfc"]/2.661 + pars["GKsfc"]<-pars["GKsfc"]/1.870 + pars["GK1fc"]<-pars["GK1fc"]/1.698 + pars["PCafc"]<-pars["PCafc"]/1.007 + } + + # return new parameters + pars +} diff --git a/AP_simulation/funs/metric_funs.R b/chantest_AP_simulation/funs/metric_funs.R similarity index 96% rename from AP_simulation/funs/metric_funs.R rename to chantest_AP_simulation/funs/metric_funs.R index dc96c47..588ed40 100644 --- a/AP_simulation/funs/metric_funs.R +++ b/chantest_AP_simulation/funs/metric_funs.R @@ -1,6 +1,6 @@ # File: metric_funs.R # Author: Kelly Chang -# Date: Oct 2017 +# Date: Sep 2017 # Version: 1.0 # # Description: Helper R functions to find various points in a trace. diff --git a/AP_simulation/models/newordherg_pars.txt b/chantest_AP_simulation/models/newordherg_pars.txt similarity index 100% rename from AP_simulation/models/newordherg_pars.txt rename to chantest_AP_simulation/models/newordherg_pars.txt diff --git a/AP_simulation/models/newordherg_qNet.c b/chantest_AP_simulation/models/newordherg_qNet.c similarity index 98% rename from AP_simulation/models/newordherg_qNet.c rename to chantest_AP_simulation/models/newordherg_qNet.c index 6e14183..317980c 100644 --- a/AP_simulation/models/newordherg_qNet.c +++ b/chantest_AP_simulation/models/newordherg_qNet.c @@ -35,10 +35,10 @@ // the undiseased human ventricular action potential and calcium transient. // This code can be compiled into a dynamically linked library (DLL) for use // in the R software environment (https://www.R-project.org/) with the -// following R command: -// system("R CMD SHLIB newordherg_qNet.c") +// following command: +// R> system("R CMD SHLIB newordherg_qNet.c") // -// The IKr-dynamic ORd model was modified from the ORd model to +// The IKr-dynamic ORd model was modified from the original ORd model to // include a Markov model for IKr gating and drug binding kinetics. It is // described in the article "Improving the in silico assessment of // proarrhythmia risk by combining hERG (Human Ether-à-go-go-Related Gene) @@ -55,6 +55,9 @@ // Tran, Wendy W. Wu, Min Wu, David G. Strauss, Thomas Colatsky, and Zhihua // Li // Link: https://www.frontiersin.org/article/10.3389/fphys.2017.00616 +// +// Email: zhihua.li@fda.hhs.gov +// Web: https://github.com/FDA/CiPA // #include diff --git a/chantest_AP_simulation/models/newordherg_qNet.o b/chantest_AP_simulation/models/newordherg_qNet.o new file mode 100644 index 0000000..3b5b1fc Binary files /dev/null and b/chantest_AP_simulation/models/newordherg_qNet.o differ diff --git a/chantest_AP_simulation/models/newordherg_qNet.so b/chantest_AP_simulation/models/newordherg_qNet.so new file mode 100644 index 0000000..09ed51d Binary files /dev/null and b/chantest_AP_simulation/models/newordherg_qNet.so differ diff --git a/AP_simulation/models/newordherg_states_CL2000.txt b/chantest_AP_simulation/models/newordherg_states_CL2000.txt similarity index 100% rename from AP_simulation/models/newordherg_states_CL2000.txt rename to chantest_AP_simulation/models/newordherg_states_CL2000.txt diff --git a/chantest_AP_simulation/results/fixed/sotalol/checkpoints.rds b/chantest_AP_simulation/results/fixed/sotalol/checkpoints.rds new file mode 100644 index 0000000..7c3d90b Binary files /dev/null and b/chantest_AP_simulation/results/fixed/sotalol/checkpoints.rds differ diff --git a/chantest_AP_simulation/results/fixed/sotalol/metrics.rds b/chantest_AP_simulation/results/fixed/sotalol/metrics.rds new file mode 100644 index 0000000..ab995ea Binary files /dev/null and b/chantest_AP_simulation/results/fixed/sotalol/metrics.rds differ diff --git a/chantest_AP_simulation/results/fixed/sotalol/states_max_dv.rds b/chantest_AP_simulation/results/fixed/sotalol/states_max_dv.rds new file mode 100644 index 0000000..259c2b5 Binary files /dev/null and b/chantest_AP_simulation/results/fixed/sotalol/states_max_dv.rds differ diff --git a/chantest_AP_simulation/results/uncertainty/metrics.rds b/chantest_AP_simulation/results/uncertainty/metrics.rds new file mode 100644 index 0000000..d0ad9f6 Binary files /dev/null and b/chantest_AP_simulation/results/uncertainty/metrics.rds differ diff --git a/chantest_AP_simulation/results/uncertainty/metrics8.rds b/chantest_AP_simulation/results/uncertainty/metrics8.rds new file mode 100644 index 0000000..548a81a Binary files /dev/null and b/chantest_AP_simulation/results/uncertainty/metrics8.rds differ diff --git a/chantest_AP_simulation/results/uncertainty/plotUQLOOCV.R b/chantest_AP_simulation/results/uncertainty/plotUQLOOCV.R new file mode 100644 index 0000000..74251fa --- /dev/null +++ b/chantest_AP_simulation/results/uncertainty/plotUQLOOCV.R @@ -0,0 +1,107 @@ +rm(list=ls()) + +library(rms) +require(ROCR) +set.seed(1) +library(ggplot2) +scale<-"sara" +CL<-2000 +metric<-"APD50_carest" +dataset<-"pureManual4" +outdir<-sprintf("results/%s/scale_%s/CL%d/",dataset,scale,CL) +figdir<-sub("results","figs",outdir) +system(paste0("mkdir -p ",outdir)); system(paste0("mkdir -p ", figdir)) + +valdf<-read.delim(paste0("../",dataset,"_AP_simulation/results/uncertainty/",metric,"LOOCV_allprobes.csv"),sep=",",as.is=T) +valdf$classidx<-valdf$CiPA +valdf$class<- 2- valdf$classidx #just like before, for plotting + +thresholdtable<-read.delim(paste0("../",dataset,"_AP_simulation/results/uncertainty/",metric,"LOOCV_errors.csv"),sep=",",as.is=T) +t1<- with(thresholdtable,-intercept1/slope) +t2<- with(thresholdtable, -intercept2/slope) #note that because in mycomputTdP_error.R the order is low (0), int(1),high(2) while in plotUQclassification.R the order is reversed, the t1/t2 here is of reversed order compared to those in plotUQclassification.R! +#use formal math +ebeta1<-with(thresholdtable,exp(-intercept1)); ebeta2<- with(thresholdtable,exp(-intercept2)); slope<-with(thresholdtable,slope) +t1 <- log(ebeta1*ebeta2/-(2*ebeta1-ebeta2))/slope +t2 <- log(ebeta2-2*ebeta1)/slope +thresholds<- c(t1,t2) + +#AUC of ROC? +forROC1<-valdf[,c("inter_prob","classidx","sample", "drug",metric)] + forROC1$inter_prob<- rowSums(valdf[,c("inter_prob","high_prob")]) + colnames(forROC1)[1]<-"positive_prob" + forROC1$class <- forROC1$classidx > 0 # now high and intermediate are both "TRUE" or "positive" + forROC1predictions<-do.call(cbind,by(forROC1[,"positive_prob"],forROC1$sample,function(x) x)) + forROC1labels<-do.call(cbind,by(forROC1$class,forROC1$sample,function(x) x)) + ROC1obj<-prediction(forROC1predictions, forROC1labels) + AUC1<-performance(ROC1obj,"auc") #the value is in y.values + +forROC2<-valdf[,c("high_prob","classidx","sample","drug",metric)] + colnames(forROC2)[1]<-"positive_prob" + forROC2$class <- forROC2$classidx > 1 + forROC2predictions<-do.call(cbind,by(forROC2[,"positive_prob"],forROC2$sample,function(x) x)) + forROC2labels<-do.call(cbind,by(forROC2$class,forROC2$sample,function(x) x)) + ROC2obj<-prediction(forROC2predictions, forROC2labels) + AUC2<-performance(ROC2obj,"auc") #the value is in y.values + +if(1>10){ +#decided to perform on the metric directly + forROC1predictions<-do.call(cbind,by(forROC1[,metric],forROC1$sample,function(x) x)) + if(metric == "qNet" || metric == "model5") + forROC1predictions<- -forROC1predictions + ROC1obj<-prediction(forROC1predictions, forROC1labels) + AUC1<-performance(ROC1obj,"auc") #the value is in y.values + + forROC2predictions<-do.call(cbind,by(forROC2[,metric],forROC2$sample,function(x) x)) + if(metric == "qNet" || metric == "model5") + forROC2predictions<- -forROC2predictions + ROC2obj<-prediction(forROC2predictions, forROC2labels) + AUC2<-performance(ROC2obj,"auc") #the value is in y.values + +} +sens1<- with(valdf, sum(classidx>0&(low_prob0)) +spec1<- with(valdf, sum(classidx==0&low_prob>high_prob&low_prob>inter_prob)/sum(classidx==0)) +LRplus1<- sens1/(1-spec1) +LRminus1<- (1-sens1)/spec1 + +sens2<- with(valdf, sum(classidx==2&low_probhigh_prob|inter_prob>high_prob))/sum(classidx<2)) +LRplus2<- sens2/(1-spec2) +LRminus2<- (1-sens2)/spec2 + +#try using random sampling to calculate LR? +sens1UQ<- by(valdf, valdf$sample, function(x) with(x, sum(classidx>0&(low_prob0))) +spec1UQ <- by(valdf, valdf$sample, function(x) with(x,sum(classidx==0&low_prob>high_prob&low_prob>inter_prob)/sum(classidx==0))) +LRplus1UQ<- (sens1UQ+rnorm(length(sens1UQ),1e-6,1e-12))/(1-spec1UQ+rnorm(length(sens1UQ),1e-6,1e-12)) +LRminus1UQ<- (1-sens1UQ+rnorm(length(sens1UQ),1e-6,1e-12))/(spec1UQ+rnorm(length(sens1UQ),1e-12,1e-12)) +quantile(LRplus1UQ,prob=c(0.025,0.5,0.975)) + +sens2UQ<- by(valdf, valdf$sample, function(x) with(x, sum(classidx==2&low_probhigh_prob|inter_prob>high_prob))/sum(classidx<2))) +LRplus2UQ<- (sens2UQ+rnorm(length(sens2UQ),1e-6,1e-12))/(1-spec2UQ+rnorm(length(sens2UQ),1e-6,1e-12)) +LRminus2UQ<- (1-sens2UQ+rnorm(length(sens2UQ),1e-6,1e-12))/(spec2UQ+rnorm(length(sens2UQ),1e-6,1e-12)) +quantile(LRplus2UQ,prob=c(0.025,0.5,0.975)) + + +desiredorder<-drugnames<-c("dofetilide","bepridil","quinidine","sotalol","ibutilide", "azimilide", "disopyramide", "vandetanib", + "cisapride","terfenadine","ondansetron","chlorpromazine","clarithromycin","risperidone","domperidone","astemizole", "pimozide","droperidol","clozapine", + "ranolazine","mexiletine","diltiazem","verapamil","metoprolol","loratadine","tamoxifen","nifedipine","nitrendipine") + +valdf$drug<- factor(valdf$drug, levels=rev(desiredorder)) + +figfile<-paste0(figdir,metric,"_violinLOOCV.pdf") +pdf(figfile, width=8, height=4) +p<-ggplot(valdf, aes(x=drug, color=as.character(class), fill=as.character(class))) +#p<-p+geom_violin(aes_string(y=metric), alpha=0.5,width=10, position=position_dodge(width=0.3)) +p<-p+geom_violin(aes_string(y=metric), alpha=0.5,scale="width", width=0.5) +#p<-p+geom_violin(aes_string(y=metric), alpha=0.5, adjust=10,width=10) +for(thresh in thresholds) + p<-p+geom_hline(yintercept=thresh, linetype="dotted") +p<-p+ylab(metric) +p<-p+coord_flip() #this is how to set xlim when coord_flip: put "ylim=c()" inside the () +p<-p+scale_color_brewer(NULL, palette="Set1") +p<-p+scale_fill_brewer(NULL, palette="Set1") +p<-p+theme_bw() +print(p) +dev.off() + + diff --git a/chantest_AP_simulation/results/uncertainty/qNetLOOCV_allprobes.csv b/chantest_AP_simulation/results/uncertainty/qNetLOOCV_allprobes.csv new file mode 100644 index 0000000..6ddf983 --- /dev/null +++ b/chantest_AP_simulation/results/uncertainty/qNetLOOCV_allprobes.csv @@ -0,0 +1,56001 @@ +drug,CiPA,sample,qNet,high_prob,inter_prob,low_prob,pred_err +quinidine,2,1,0.054772557159572,0.346604804130721,0.634099728386621,0.019295467482658,1 +quinidine,2,2,0.0490087480518917,0.736901229336501,0.259386240681635,0.00371252998186455,0 +quinidine,2,3,0.0510445647683642,0.608786933519456,0.384550819413282,0.00666224706726215,0 +quinidine,2,4,0.0567652788223218,0.229831234844058,0.736376062445597,0.0337927027103454,1 +quinidine,2,5,0.0543594170477044,0.374085396763868,0.608751277438295,0.0171633257978366,1 +quinidine,2,6,0.0551492150008524,0.322406993919241,0.656128697916393,0.0214643081643654,1 +quinidine,2,7,0.0493996967640651,0.714443414514495,0.281402339752538,0.0041542457329673,0 +quinidine,2,8,0.0480946896551028,0.784789459240174,0.212356600235129,0.00285394052469712,0 +quinidine,2,9,0.049315303942963,0.719387708520593,0.276557626814147,0.00405466466525961,0 +quinidine,2,10,0.0593294684308384,0.124607266798732,0.80707943889053,0.0683132943107375,1 +quinidine,2,11,0.0547818696095379,0.345996223214728,0.634657371293842,0.0193464054914291,1 +quinidine,2,12,0.0488556046812163,0.745382376351115,0.251065079315004,0.00355254433388075,0 +quinidine,2,13,0.04565920927176,0.880469492146447,0.118115609315148,0.00141489853840493,0 +quinidine,2,14,0.0488043091871104,0.748182562151295,0.248316929932937,0.00350050791576861,0 +quinidine,2,15,0.0528719822963643,0.478680243693759,0.510080804911819,0.011238951394422,1 +quinidine,2,16,0.0518747096258928,0.550469095011129,0.441079741834637,0.00845116315423411,0 +quinidine,2,17,0.0523492441871344,0.516388009428504,0.473932059730001,0.00967993084149499,0 +quinidine,2,18,0.0577289629260279,0.184302541568394,0.771544292019837,0.0441531664117688,1 +quinidine,2,19,0.0503134181800237,0.657750697434141,0.336847920854855,0.00540138171100335,0 +quinidine,2,20,0.0529807250132557,0.470852315331369,0.517554475440835,0.0115932092277956,1 +quinidine,2,21,0.0517240093565421,0.561209208074896,0.430696499876283,0.00809429204882073,0 +quinidine,2,22,0.052761847901707,0.486619022718216,0.502489906609823,0.0108910706719613,1 +quinidine,2,23,0.0557061094542042,0.288332021991961,0.686554076407253,0.0251139016007854,1 +quinidine,2,24,0.0475269404275014,0.811180484884099,0.186395968725584,0.00242354639031761,0 +quinidine,2,25,0.0488466342791604,0.745873540371487,0.25058307055676,0.00354338907175289,0 +quinidine,2,26,0.0501592363282035,0.667699032614297,0.327133513533029,0.00516745385267414,0 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a/chantest_AP_simulation/results/uncertainty/qNetLOOCV_probs.csv b/chantest_AP_simulation/results/uncertainty/qNetLOOCV_probs.csv new file mode 100644 index 0000000..1ca2f1a --- /dev/null +++ b/chantest_AP_simulation/results/uncertainty/qNetLOOCV_probs.csv @@ -0,0 +1,29 @@ +drug,CiPA,predict_0,predict_1,predict_2 +quinidine,2,0,991,1009 +bepridil,2,0,2,1998 +dofetilide,2,0,8,1992 +sotalol,2,0,1998,2 +chlorpromazine,1,76,1924,0 +cisapride,1,0,2000,0 +terfenadine,1,2,1998,0 +ondansetron,1,0,2000,0 +diltiazem,0,2000,0,0 +mexiletine,0,2000,0,0 +ranolazine,0,2000,0,0 +verapamil,0,1644,356,0 +risperidone,1,758,1242,0 +metoprolol,0,1819,181,0 +ibutilide,2,0,0,2000 +domperidone,1,0,6,1994 +clarithromycin,1,3,1997,0 +astemizole,1,0,2000,0 +azimilide,2,0,0,2000 +disopyramide,2,0,1999,1 +droperidol,1,0,2000,0 +pimozide,1,0,89,1911 +vandetanib,2,0,0,2000 +tamoxifen,0,303,1697,0 +loratadine,0,2000,0,0 +clozapine,1,449,1551,0 +nifedipine,0,2000,0,0 +nitrendipine,0,2000,0,0 diff --git 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+nitrendipine,0,1996,0.0708250035895805,0.66976434441401,0.323890433032957,0.00634522255303329 +nitrendipine,0,1997,0.0727448516195958,0.780528846331815,0.215842719820989,0.00362843384719568 +nitrendipine,0,1998,0.0729373042872605,0.790020818720648,0.206548702805131,0.00343047847422062 +nitrendipine,0,1999,0.073673893310224,0.82354209678864,0.173690571604616,0.00276733160674442 +nitrendipine,0,2000,0.0706751765342915,0.659998847015898,0.333373516470066,0.00662763651403568 diff --git a/chantest_AP_simulation/results/uncertainty/qNettraining_errors.csv b/chantest_AP_simulation/results/uncertainty/qNettraining_errors.csv new file mode 100644 index 0000000..bfd3c45 --- /dev/null +++ b/chantest_AP_simulation/results/uncertainty/qNettraining_errors.csv @@ -0,0 +1,2 @@ +intercept1,intercept2,slope,error +20.01199509307,15.665426847338,-292.539547635619,0.185375 diff --git a/chantest_AP_simulation/results/uncertainty/qNettraining_probs.csv b/chantest_AP_simulation/results/uncertainty/qNettraining_probs.csv new file mode 100644 index 0000000..ffa6f36 --- /dev/null +++ b/chantest_AP_simulation/results/uncertainty/qNettraining_probs.csv @@ -0,0 +1,29 @@ +drug,CiPA,predict_0,predict_1,predict_2 +astemizole,1,0,2000,0 +azimilide,2,0,0,2000 +bepridil,2,0,2,1998 +chlorpromazine,1,31,1969,0 +cisapride,1,0,2000,0 +clarithromycin,1,0,2000,0 +clozapine,1,276,1724,0 +diltiazem,0,2000,0,0 +disopyramide,2,0,1990,10 +dofetilide,2,0,2,1998 +domperidone,1,0,25,1975 +droperidol,1,0,2000,0 +ibutilide,2,0,0,2000 +loratadine,0,2000,0,0 +metoprolol,0,1862,138,0 +mexiletine,0,2000,0,0 +nifedipine,0,2000,0,0 +nitrendipine,0,2000,0,0 +ondansetron,1,0,2000,0 +pimozide,1,0,168,1832 +quinidine,2,0,776,1224 +ranolazine,0,2000,0,0 +risperidone,1,446,1554,0 +sotalol,2,0,1925,75 +tamoxifen,0,1281,719,0 +terfenadine,1,2,1998,0 +vandetanib,2,0,0,2000 +verapamil,0,1733,267,0 diff --git a/AP_simulation/run_example.sh b/chantest_AP_simulation/run_example.sh old mode 100755 new mode 100644 similarity index 100% rename from AP_simulation/run_example.sh rename to chantest_AP_simulation/run_example.sh diff --git a/chantest_Hill_fitting/IC50_mcmc_jobs.sh b/chantest_Hill_fitting/IC50_mcmc_jobs.sh new file mode 100644 index 0000000..57c27f0 --- /dev/null +++ b/chantest_Hill_fitting/IC50_mcmc_jobs.sh @@ -0,0 +1,26 @@ +#$ -cwd +#$ -l h_rt=10:00:00 +#$ -l h_vmem=2G +#$ -S /bin/sh +#$ -j y +#$ -pe thread 1 +#$ -t 1-28 +#$ -N IC50_mcmc +#$ -o logfiles + +#source /home/kelly.chang/R/source.sh + +DRUGNAMES=(\ + dofetilide bepridil sotalol quinidine \ + cisapride terfenadine ondansetron chlorpromazine \ + verapamil ranolazine mexiletine diltiazem \ + ibutilide disopyramide vandetanib azimilide \ + droperidol domperidone clarithromycin astemizole risperidone pimozide clozapine \ + metoprolol loratadine tamoxifen nitrendipine nifedipine \ + #cisapride_1_phase2 nifedipinie_1_phase2 cisapride_2_phase2 nifedipine_2_phase2 verapamil_1_phase2 verapamil_2_phase2 \ +) + +IDX=$((SGE_TASK_ID-1)) +DRUG=${DRUGNAMES[IDX]} + +Rscript newIC50_mcmc.R -f data/drug_block.csv -d "$DRUG" >& logfiles/"$DRUG" diff --git a/chantest_Hill_fitting/README.docx b/chantest_Hill_fitting/README.docx new file mode 100644 index 0000000..796fb9d Binary files /dev/null and b/chantest_Hill_fitting/README.docx differ diff --git a/chantest_Hill_fitting/data/drug_block.csv b/chantest_Hill_fitting/data/drug_block.csv new file mode 100644 index 0000000..0af4661 --- /dev/null +++ b/chantest_Hill_fitting/data/drug_block.csv @@ -0,0 +1,2875 @@ +drug,conc,units,channel,block +loratadine,0.45,nM,ICaL,-22.663 +loratadine,0.45,nM,hERG,8.937 +loratadine,450,nM,hERG,26.613 +loratadine,450,nM,hERG,17.1 +loratadine,0.45,nM,ICaL,-12.24 +loratadine,4.5,nM,INa,-19.465 +loratadine,4.5,nM,INa,6.021 +loratadine,4.5,nM,INa,-5.734 +loratadine,0.45,nM,hERG,9.189 +loratadine,0.45,nM,hERG,8.939 +loratadine,4.5,nM,hERG,2.494 +loratadine,4.5,nM,hERG,10.537 +loratadine,4.5,nM,hERG,6.648 +loratadine,4.5,nM,hERG,12.926 +loratadine,450,nM,hERG,19.379 +loratadine,4.5,nM,ICaL,-5.819 +loratadine,4.5,nM,ICaL,3.274 +loratadine,4.5,nM,ICaL,17.515 +loratadine,450,nM,hERG,15.496 +loratadine,35000,nM,hERG,104.042 +loratadine,35000,nM,hERG,108.32 +loratadine,450,nM,INa,-1.218 +loratadine,450,nM,INa,-12.707 +loratadine,450,nM,INa,-1.673 +loratadine,0.45,nM,ICaL,-19.22 +loratadine,4.5,nM,ICaL,10.033 +loratadine,0.45,nM,INa,-11.15 +loratadine,0.45,nM,INa,-1.067 +loratadine,0.45,nM,INa,-1.327 +loratadine,0.45,nM,INa,-11.921 +loratadine,0.45,nM,INaL,8.369 +loratadine,0.45,nM,INaL,20.718 +loratadine,0.45,nM,INaL,15.751 +loratadine,0.45,nM,INaL,5.216 +loratadine,4.5,nM,INaL,-0.499 +loratadine,4.5,nM,INaL,10.659 +loratadine,4.5,nM,INaL,-0.576 +loratadine,4.5,nM,INaL,7.831 +loratadine,450,nM,INaL,10.011 +loratadine,450,nM,INaL,12.043 +loratadine,450,nM,INaL,25.792 +loratadine,450,nM,INaL,12.58 +loratadine,35000,nM,INaL,95.781 +loratadine,450,nM,ICaL,9.402 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+verapamil,30,nM,INa,8.506 +verapamil,100,nM,INa,-22.29 +verapamil,100,nM,INa,-9.228 +verapamil,100,nM,INa,-29.909 +verapamil,100,nM,INa,-15.179 +verapamil,100,nM,INa,-7.836 +verapamil,100,nM,INa,17.994 +verapamil,300,nM,INa,10.977 +verapamil,300,nM,INa,7.131 +verapamil,300,nM,INa,-21.363 +verapamil,300,nM,INa,-1.738 +verapamil,300,nM,INa,-19.957 +verapamil,300,nM,INa,6.47 +verapamil,1000,nM,INa,15.905 +verapamil,1000,nM,INa,19.485 +verapamil,1000,nM,INa,-5.92 +verapamil,1000,nM,INa,-6.474 +verapamil,1000,nM,INa,1.242 +verapamil,1000,nM,INa,12.292 diff --git a/chantest_Hill_fitting/data/readme.txt b/chantest_Hill_fitting/data/readme.txt new file mode 100644 index 0000000..8b13789 --- /dev/null +++ b/chantest_Hill_fitting/data/readme.txt @@ -0,0 +1 @@ + diff --git a/Hill_fitting/IC50_mcmc.R b/chantest_Hill_fitting/newIC50_mcmc.R similarity index 69% rename from Hill_fitting/IC50_mcmc.R rename to chantest_Hill_fitting/newIC50_mcmc.R index 77f4213..6538c22 100644 --- a/Hill_fitting/IC50_mcmc.R +++ b/chantest_Hill_fitting/newIC50_mcmc.R @@ -1,8 +1,9 @@ # File: IC50_mcmc.R -# Author: Kelly Chang +# Author: Kelly C. Chang +# Zhihua Li # based on code by Jose Vicente # Date: Oct 2017 -# Version: 1.0 +# Version: 2.0 # # Description: R script to perform Markov-chain Monte Carlo (MCMC) # simulation for Hill equations modeling drug block of @@ -18,8 +19,9 @@ proc_start<-proc.time() options(warn=1) -#--- specify command line arguments library(optparse) + +#--- specify command line arguments parser<-OptionParser() parser<-add_option(parser, c("-d", "--drug"), type="character", help="Drug name [required]") parser<-add_option(parser, c("-f", "--filepath"), default="data/drug_block.csv", help="Path to file containing patch clamp fractional block data for the specified drug [default data/drug_block.csv].") @@ -27,7 +29,7 @@ parser<-add_option(parser, c("-s", "--seed"), default=100, type="integer", help= parser<-add_option(parser, c("-n", "--nsamples"), default=2000, type="integer", help="Number of samples to collect [default 2000]") parser<-add_option(parser, c("-b", "--burnin"), default=10000, type="integer", help="Burnin length [default 10000]") parser<-add_option(parser, c("-t", "--thin"), default=10, type="integer", help="Thinning rate [default 10]") - +parser<-add_option(parser, c("-c", "--channel"), type="character", default="all", help="Channel or Current name") args<-parse_args(parser) #--- load libraries @@ -45,13 +47,19 @@ seednum<-args$seed nsamp<-args$nsamples burnin<-args$burnin thin<-args$thin +desiredchannels<-args$channel sigdigits=4 addburn<-burnin # increase burnin by addburn if convergence test fails -# parameter bounds for log10(IC50) and Hill coefficient (note IC50 in nM) -lowBds<-c(-10, 0) -uppBds<-c(10, 10) +# parameter bounds for log(IC50) and Hill coefficient (note IC50 in nM) +lowBds<-c(log(1e-10)*0.99, 0.5*1.01) +uppBds<-c(log(1e10)*0.99, 2.0*0.99) + +#full bounds include std of the error term +fulllowBds<-c(log(1e-10), 0.5, 0) +fulluppBds<-c(log(1e10), 2.0, 50) + # Hill equation residuals HillRes<-function(params, datadf){ @@ -60,37 +68,44 @@ HillRes<-function(params, datadf){ # Hill equation Hillfun<-function(params, conc){ - data.frame(conc=conc, block=100*(1-1/(1+(conc/10^params[1])^params[2]))) + data.frame(conc=conc, block=100*(1-1/(1+(conc/exp(params[1]))^params[2]))) +} + +#likelihood fun +Hilllikelihood<-function(params, datadf){ + #here params has three variables: ic50, h, and std + res<- HillRes(params[1:2], datadf) + N<- dim(datadf)[1]; delta<- params[3] + -2*(-N*log(delta)-1/(2*delta^2)*sum(res^2)) + } -# Hill equation self start function -# note: log10IC50 is used to keep IC50 from becoming negative -SSHill<-selfStart(~ 100*(1-1/(1+(conc/10^log10IC50)^h)), +SSHill<-selfStart(~ 100*(1-1/(1+(conc/exp(logIC50))^h)), function(mCall, data, LHS){ xy <- sortedXyData(mCall[["conc"]], LHS, data) if(nrow(xy) < 4) stop("Too few distinct x values to fit Hill equation") - pars<-c(log10IC50=NA, h=NA) + pars<-c(logIC50=NA, h=NA) eps<-0.01 if(all(xy[["y"]]100-eps)){ # 100% block for all conc, should handle with care - pars[["log10IC50"]]<-log10(min(xy[["x"]])) + pars[["logIC50"]]<-log(min(xy[["x"]])) pars[["h"]]<-1 }else{ # linear fit ignore<- xy[["y"]]100-eps - xx<-log10(xy[["x"]][!ignore]) + xx<-log(xy[["x"]][!ignore]) yy<-1/(1-xy[["y"]][!ignore]/100)-1 - yy<-log10(yy) + yy<-log(yy) xxyy<-data.frame(xx=xx, yy=yy) lm.out<-lm(yy ~ xx, data=xxyy) cf<-coef(lm.out) - pars[["log10IC50"]]<- -cf[[1]]/cf[[2]] + pars[["logIC50"]]<- -cf[[1]]/cf[[2]] pars[["h"]]<-cf[[2]] } return(pars) - }, c("log10IC50","h")) + }, c("logIC50","h")) # read in patch clamp data datadf<-read.csv(datafile) @@ -111,7 +126,9 @@ system(paste0("mkdir -p ",drugdir)) # fit Hill equation for each channel opt_list<-list() col_list<-list() -for(channel in channels){ +if(desiredchannels == "all") + desiredchannels <- channels +for(channel in desiredchannels){ tstr<-sprintf("%s, %s channel",drug,channel) print(tstr) @@ -124,21 +141,27 @@ for(channel in channels){ col_list[[paste0(channel,"_h")]]<-rep(NA,nsamp) opt_list[[paste0(channel,"_IC50")]]<-NA opt_list[[paste0(channel,"_h")]]<-NA - + # fit model using modFit (nls.lm) - initpar<-getInitial(block ~ SSHill(conc, log10IC50, h), expdf) + meanconc<-mean(expdf$conc) ic50seeds<-c(meanconc,meanconc*0.5,meanconc*0.3,meanconc*0.75,0.00001, 0.0001, 0.001, 0.01, 0.1, 1,100,300,500,1000,3000,5000,10000,30000,50000,100000, 300000, 500000,1000000,3000000,5000000) - trystarts<-cbind(log10(ic50seeds),rep(0.9,length(ic50seeds))) - trystarts<-rbind(initpar,trystarts) + trystarts<-cbind(log(ic50seeds),rep(0.9,length(ic50seeds))) + + colnames(trystarts)<-c("logIC50","h") tryi<-1 - while(tryi==1 || (inherits(tryout, "try-error") && tryi<=nrow(trystarts))){ + while(tryi==1 || (inherits(tryout, "try-error") && tryi<=nrow(trystarts)) ){ tryout<-try({ - mf<-modFit(f=HillRes, p=trystarts[tryi,], datadf=expdf, + #optim is more robust; always use it first to narrow it down unless ... + if(!any(is.na(trystarts[tryi,]))){ + realinitpars <- optim(trystarts[tryi,],function(p) sum(HillRes(p,expdf)^2),lower=lowBds, upper=uppBds,method="L-BFGS-B")$par + }else{ #if init is NA, still need to go through modFit to get tryout + realinitpars<-c(logIC50=1,h=1) #but change init to a random pair + } + + mf<-modFit(f=HillRes, p=realinitpars, datadf=expdf, lower=lowBds, upper=uppBds, method="Marq") - - smf<-summary(mf) - print(smf) + }) tryi<-tryi+1 } @@ -157,21 +180,28 @@ for(channel in channels){ } # variables used to plot dose-response curve - plot_IC50<-10^mf$par[1] + plot_IC50<-exp(mf$par[1]) plot_h<-mf$par[2] - xvals<-c(xvals, plot_IC50/10, plot_IC50*10) - plot_x<-10^(seq(from=min(log10(xvals)), to=max(log10(xvals)), length.out=100)) - plot_y<-SSHill(plot_x, log10(plot_IC50), plot_h) + xvals<-c(xvals, plot_IC50/exp(2), plot_IC50*exp(2)) + #because sometimes around IC50 is not covering all concentrations tested, need to expand more + xvals<-c(xvals, min(expdf$conc)/10, max(expdf$conc)*10) + plot_x<-exp(seq(from=min(log(xvals)), to=max(log(xvals)), length.out=100)) + plot_y<-SSHill(plot_x, log(plot_IC50), plot_h) # save IC50 values opt_list[[paste0(channel,"_IC50")]]<-signif(plot_IC50, digits=sigdigits) opt_list[[paste0(channel,"_h")]]<-signif(plot_h, digits=sigdigits) # initialize with modFit results, as recommended in FME documentation - startp<-setNames(mf$par, c("log10IC50","h")) - Covar<-smf$cov.scaled * 2.4^2/2 - s2prior<-smf$modVariance - + startp<-setNames(mf$par, c("logIC50","h")) + startp[3]<- sd(mf$residuals) + + Covar <- NULL + s2prior <- NULL #this will assume error variance is 1: so MCMC function won't really use error term in calculating likelihood; but I'll do it myself in Hilllikelihood + + weightvar<- 0 + +#save.image() # set seed for reproducibility set.seed(seednum) burnin<-addburn @@ -179,14 +209,15 @@ for(channel in channels){ while(!converged){ # run MCMC tryout<-try({ - MCMC<-modMCMC(f=HillRes, p=startp, datadf=expdf, - lower=lowBds, upper=uppBds, - jump=Covar, var0=s2prior, wvar0=1, + MCMC<-modMCMC(f=Hilllikelihood, p=startp, datadf=expdf, + lower=fulllowBds, upper=fulluppBds, + jump=Covar, var0=s2prior, wvar0=weightvar, burninlength=burnin, niter=burnin+nsamp*thin, outputlength=nsamp, updatecov=10, ntrydr=2) print(summary(MCMC)) }) - if(inherits(tryout, "try-error") || MCMC$naccepted2 || any(is.na(tmp))) + stop("Bad sample specifications!") + samp_start<-tmp[1] + samp_stop<-ifelse(length(tmp)==2, tmp[2], tmp[1]) + if(samp_start>samp_stop) + stop("Invalid sample range!") + seq(samp_start, samp_stop) # step size 1 + }) +samples<-do.call(c,samp_list) +if(any(samples<0)) stop("Sample number must be nonnegative!") + +#--- parse dose list, ranges +if(drug=="control"){ + doses<-0 +}else{ + dose_split<-strsplit(dosestr, ",")[[1]] + dose_list<-lapply(dose_split, + function(s){ + tmp<-as.numeric(strsplit(s, "-")[[1]]) + if(length(tmp)==0 || length(tmp)>2 || any(is.na(tmp))) + stop("Bad dose specifications!") + dose_start<-tmp[1] + dose_stop<-ifelse(length(tmp)==2, tmp[2], tmp[1]) + if(dose_start>dose_stop) + stop("Invalid dose range!") + seq(dose_start, dose_stop) # step size 1 + }) + doses<-do.call(c,dose_list) +} +if(any(doses<0)) stop("Dose must be nonnegative!") + +#--- parse dropcurrent +all_currents<-c("hERG","ICaL","INaL","INa","IKs","Ito","IK1") +drop_vec<-NA +if(omit){ + drop_vec<-all_currents +}else if(!is.null(dropstr)){ + if(!dropstr%in%all_currents) + stop(sprintf("Unrecognized current: %s!",dropstr)) + drop_vec<-dropstr +} + +#--- load model +extension<-ifelse(isWindows, ".dll", ".so") +dyn.load(paste0("models/newordherg_qNet",extension)) + +#--- get therapeutic concentration (Cmax) +drugtable<-read.csv(cmaxfile) +cmax<-drugtable[tolower(as.character(drugtable$drug))==drug,"therapeutic"] # should be in nanomolar +if(length(cmax)==0){ + if(drug=="control"){ + cmax<-0 + }else{ + cmax<-1 + print(sprintf("Cmax undefined, interpreting dose as nanomolar concentrations.")) + } +}else if(length(cmax)==1){ + print(sprintf("Cmax set to %g nM, interpreting dose as multiples of Cmax.",cmax)) +}else{ + stop("Multiple entries for %s therapeutic concentration!",drug) +} + +#--- run simulations, optionally removing drug effects on one current at a time +CL<-2000 +beats<-1000 +nsave<-250 +print(sprintf("CL = %s ms, analyzing %d out of %d beats", CL, nsave, beats)) + +for(isamp in samples){ + print(sprintf("Running %s, sample %d, doses %s", drug, isamp, + ifelse(length(doses)==1,doses,args$dose))) + + for(dropcurrent in drop_vec){ + + #--- setup output directory + if(drug=="control" || isamp==0){ + outdir<-"results/fixed/" + }else{ + outdir<-"results/uncertainty/" + } + if(!is.na(dropcurrent)){ + print(sprintf("Omitting drug effects on %s...", dropcurrent)) + outdir<-paste0(outdir,"drop_",dropcurrent,"/") + } + outdir<-paste0(outdir,drug,"/") + if(isamp>0) outdir<-paste0(outdir,sprintf("%05d/",isamp)) + system(paste0("mkdir -p ",outdir)) + + #--- setup simulation outputs + outfile<-paste0(outdir,"metrics.rds") + outdf<-data.frame() + + statefile<-paste0(outdir,"states_max_dv.rds") + statesdf<-data.frame() + + chkpt_intv<-250 + checkfile<-paste0(outdir,"checkpoints.rds") + checksdf<-data.frame() + + #--- run simulations + for(dose in doses){ + conc<-dose*cmax + print(sprintf("dose = %sx Cmax, concentration = %g nM...", dose, conc)) + + pars<-get_pars("models/newordherg_pars.txt", drug, conc, isamp, bootpath, mcmcpath, dropcurrent, use_opt_scaling) + print(pars) + + tmp<-read.table(sprintf("models/newordherg_states_CL%d.txt",CL), col.names=c("param","value")) + states<-setNames(tmp$value, tmp$param) + states[["D"]]<-conc + + # add qNet variable to initial states + states<-c(states, qNet=0) + + fulltimes<-0:CL + + beatstates<-list() + beatdf<-data.frame() + params<-c("INa","INaL","Ito","ICaL","IKr","IKs","IK1","dv") + for(i in 1:beats){ + # run simulation + try({out <- ode(states, fulltimes, "derivs", pars,dllname="newordherg_qNet",initfunc="initmod", nout=length(params),rtol=1e-6,atol=1e-6,method="lsoda")}); + if(!exists("out")||inherits(out,"try-error")||length(out[,1])!=length(fulltimes) + || !all(out[,1]==fulltimes) || any(is.nan(out))){ + stop("solving error!") + } + colnames(out)[1+length(states)+seq_along(params)]<-params + + # save checkpoint + if(i>1 && i%%chkpt_intv==1) + checksdf<-rbind(checksdf,data.frame(drug=drug, CL=CL, dose=dose, beat=i, t(states))) + + # save metrics + if(i>beats-nsave){ + beatstates[[i-(beats-nsave)]]<-data.frame(beat=i, t(states)) # save all beats temporarily + tmpdf<-data.frame(beat=i, t(out[nrow(out),"qNet"])) + + # default values + catd50<-NA + catd90<-NA + apd50<-NA + apd90<-NA + + # Mirams metric calculations + t<-out[,"time"] + v<-out[,"v"] + ca<-out[,"cai"] + t_start<-t[length(t)] # start looking for EAD + t_end<-t[length(t)] # stop looking for EAD + + # transmembrane potential + pt_dvdtmax<-find_dxdtMax(t, v) + t_up<-pt_dvdtmax[["t"]] + tmpdf$dvdtmax<-pt_dvdtmax[["value"]] + + pt_max<-find_max(t, v) + t_max<-pt_max[["t"]] + vmax<-pt_max[["value"]] + i_max<-which(t==t_max) + tmpdf$vmax<-vmax + if(vmax>=0) t_start<-t_max + + vrest<-min(v[t=0 && vrest< -40){ # repolarization + t_rep<-find_rep(t, v, vrest, i_max, 0.3)[["t"]] + if(!is.na(t_rep)){ + t_start<-t_rep # start looking for EAD + + t_rep<-find_rep(t, v, vrest, i_max, 0.5)[["t"]] + if(!is.na(t_rep)){ + apd50<-t_rep-t_up + + t_rep<-find_rep(t, v, vrest, i_max, 0.9)[["t"]] + if(!is.na(t_rep)){ + apd90<-t_rep-t_up + t_end<-t_rep # stop looking for EAD + } + } + } + } + tmpdf$APD50<-apd50 + tmpdf$APD90<-apd90 + + tmpdf$max_dv<-ifelse(t_end-t_start>1, + max(out[t>t_start & tcaup)[1]] + + t_rep<-find_rep(t, ca, carest, i_max, 0.5)[["t"]] + if(!is.na(t_rep)){ + catd50<-t_rep-t_up + + t_rep<-find_rep(t, ca, carest, i_max, 0.9)[["t"]] + if(!is.na(t_rep)){ + catd90<-t_rep-t_up + t_end<-t_rep + } + } + tmpdf$CaTD50<-catd50 + tmpdf$CaTD90<-catd90 + + # append metrics + beatdf<-rbind(beatdf,tmpdf) + } + + # set state variables for next beat + pidx<-match(names(states),colnames(out),nomatch=0) + states[pidx!=0]<-out[dim(out)[1],pidx] + states[length(states)]<-0 # reset integration + + } # for beats + + # save info from last beat, or beat with max_dv + max_vec<-beatdf$max_dv + namaxdv<-is.na(max_vec) + EADs<-sum(max_vec[!namaxdv]>0) + noDepols<-sum(namaxdv) + noRepols<-sum(is.na(beatdf$APD90)) + if(noDepols==length(max_vec)){ + keep<-nrow(beatdf) + print(sprintf("depolarization failure, keeping beat %d",beatdf[keep,"beat"])) + }else{ + keep<-which.max(max_vec) + print(sprintf("max_dv on beat %d",beatdf[keep,"beat"])) + } + + saveRDS(checksdf,checkfile) + + statesdf<-rbind(statesdf,data.frame(dose=dose, beatstates[[keep]])) + saveRDS(statesdf,statefile) + + outdf<-rbind(outdf,data.frame(dose=dose, beatdf[keep,], EADs=EADs, noDepols=noDepols, noRepols=noRepols)) + saveRDS(outdf,outfile) + + } # for dose + } # for dropcurrent +} # for sample + +print(proc.time()-proc_start) diff --git a/nanion8rand_AP_simulation/AP_uncertainty_jobs.sh b/nanion8rand_AP_simulation/AP_uncertainty_jobs.sh new file mode 100644 index 0000000..03c2f6f --- /dev/null +++ b/nanion8rand_AP_simulation/AP_uncertainty_jobs.sh @@ -0,0 +1,33 @@ +#$ -cwd +#$ -l h_rt=24:00:00 +#$ -l h_vmem=2G +#$ -S /bin/sh +#$ -j y +#$ -pe thread 1 +WORKERPERDRUG=1000 +#$ -t 1-27000 #num. drugs x WORKERPERDRUG +#$ -N uncertainty +#$ -o logfiles + +#source /home/kelly.chang/R/source.sh +#disopyramidenoICaL +DRUGNAMES=(\ + dofetilide bepridil sotalol quinidine \ + cisapride terfenadine ondansetron chlorpromazine \ + verapamil ranolazine mexiletine diltiazem \ + ibutilide vandetanib azimilide \ + droperidol domperidone clarithromycin risperidone pimozide clozapine \ + metoprolol loratadine tamoxifen nifedipine nitrendipine astemizole \ + ) + +IDX=$(((SGE_TASK_ID-1)%$WORKERPERDRUG+1)) +SAMPLEPERWORKER=2000/$WORKERPERDRUG +ISTART=$(((IDX-1)*$SAMPLEPERWORKER+1)) +ISTOP=$((IDX*$SAMPLEPERWORKER)) +ISTR="$ISTART"-"$ISTOP" +IDX2=$(((SGE_TASK_ID-IDX)/$WORKERPERDRUG)) +DRUG=${DRUGNAMES[IDX2]} + +DOSE="1-4" + +Rscript AP_simulation.R -d "$DRUG" -x "$DOSE" -i "$ISTR" -c "data/newCiPA.csv" -m "../nanion_Hill_fitting/results" >& logfiles/"$JOB_NAME".o"$JOB_ID"."$SGE_TASK_ID" diff --git a/nanion8rand_AP_simulation/README.docx b/nanion8rand_AP_simulation/README.docx new file mode 100644 index 0000000..e5aa0c7 Binary files /dev/null and b/nanion8rand_AP_simulation/README.docx differ diff --git a/AP_simulation/combine_results.R b/nanion8rand_AP_simulation/combine_results.R similarity index 98% rename from AP_simulation/combine_results.R rename to nanion8rand_AP_simulation/combine_results.R index 19dd658..3cdd45d 100644 --- a/AP_simulation/combine_results.R +++ b/nanion8rand_AP_simulation/combine_results.R @@ -1,6 +1,6 @@ # File: combine_results.R # Author: Kelly Chang -# Date: Oct 2017 +# Date: Sep 2017 # Version: 1.0 # # Description: R script to aggregate action potential (AP) simulation diff --git a/nanion8rand_AP_simulation/data/newCiPA.csv b/nanion8rand_AP_simulation/data/newCiPA.csv new file mode 100644 index 0000000..bbaaf88 --- /dev/null +++ b/nanion8rand_AP_simulation/data/newCiPA.csv @@ -0,0 +1,34 @@ +drug,CaLh,CaLIC50,hERGh,hERGIC50,Itoh,ItoIC50,IK1h,IK1IC50,IKsh,IKsIC50,Late_sodiumh,Late_sodiumIC50,Peak_sodiumh,Peak_sodiumIC50,freedrugStrauss,freedrug,CiPA,wendyhERGIC50,wendyhERGh,therapeutic +quinidine,0.589208762,51592.34546,1.025055937,343.3833442,1.28,3487.43,0.35,39589919,1.36305201,4898.902693,1.34,9416.98,1.493724623,12329.0369,0.8429,3.237,2,992,0.8199,3237 +bepridil,0.648641112,2808.055446,0.876512415,149.2759972,3.54,8594.04,0,0,0.706125727,28628.30722,1.42,1813.91,1.163653755,2929.272579,0.031513648,0.035,2,50,0.92,33 +dofetilide,1.16,260.32,0.634046073,1.461870897,0.77,18.82,0.77,394.26,0,0,0.26,753160.41,0.89,380.5,0.00214014,0.002,2,4.87,0.93,2 +sotalol,0.86510548,7061526.92,0.935302197,86369.31485,0.66,43143455.32,1.204371947,3050260.348,1.167218474,4221855.541,0,0,0.51,1.14e+09,14.68644441,14.69,2,110600,0.7678,14690 +chlorpromazine,0.844107446,8191.915057,0.886399875,1118.462175,0.37,17616711.07,0.687753884,9269.939647,0,0,0.94,4559.55,1.995393819,4535.599203,0.034474995,0.038,1,929.2,0.85,38 +cisapride,0.43,9258075.75,1.339122491,11.81658075,0.24,219112.35,0.51,29498.04,0.29,81192862,0,0,0,0,0.002575384,0.003,1,10.1,0.73,2.6 +terfenadine,0.660062997,700.4003343,0.585067977,18.50660197,0.26,239960.82,0,0,0.54,399754,0.6,20056.02,1.015027823,4803.18322,0.00028,0.009,1,23,0.6468,4 +ondansetron,0.752643717,22551.37898,0.959256556,1492.45282,0.99,1023377.67,0,0,0.65344884,569807.4225,1.03,19180.8,1.019672018,57666.4315,0.3584,0.3584,1,1320,0.9134,139 +diltiazem,0.714205489,112.1303862,0.786245912,6568.586333,0.17,2821526904,0,0,0,0,0.68,21868.47,0.70224184,110859.7524,0.127500111,0.122,0,13150,0.9254,122 +flecainide,1.382101059,25599.33813,0.837036709,692.0893213,0,0,0,0,0,0,0.767924824,9581.328949,1.894151433,6677.440617,0.752895753,0.753,0,0,0,0 +mexiletine,1.030674129,38243.58316,2.589797137,24367.70617,0,0,0,0,0,0,1.41,8956.75,0,0,2.503244947,4.129,0,28880,0.9246,4129 +ranolazine,0,0,0.83574875,6490.474782,0,0,0,0,0.52,36155020,0.94,7884.47,1.424957384,68774.53398,1.948207649,2.4,0,8270,0.8866,1948.2 +verapamil,1.096809669,201.7832944,1.095862939,498.6172819,0.82,13429.25,0.27,348913215.6,0,0,1.03,7028.01,0,0,0.045003767,0.088,0,288,0.96,81 +risperidone,0.585,1465,0.665,137.3,0,0,0,0,0,0,0,0,0.371,24079303,0.002,0.002,1,298,0.42,1.81 +metoprolol,0.533,3260877,0.88,20120,0,0,0,0,0,0,0.66,627433,0.6,30103,1.8,1.8,0,29570,0.66,1800 +ibutilide,0.829,38663,1.095,14.75,0,0,0,0,0,0,0,0,1.6,35213,100,100,2,35.5,1.37,100 +domperidone,0.486,74.11,0.776,131.4,0,0,0,0,0,0,0.57,1162308,0.88,69487,20,20,1,23.8,0.54,19 +clarithromycin,0.87,38012,0.71,61932,0,0,0,0,0,0,1.309,3001951,0.8864,1089035,1206,1206,1,14910,0.62,1206 +astemizole,1.22,557.2,0.526,10.08,0,0,0,0,0,0,0,0,0.735,5498,0.3,0.3,1,33.3,0.71,0.26 +azimilide,0.701,12966,0.746,827,0,0,0,0,0,0,0.445,3536723,0.586,608961,70,70,2,233,0.58,70 +disopyramide,0.677,32717,0.845,11200,0,0,0,0,0,0,2.017,366539,1.293,191760,700,700,2,6653,0.4456,742 +droperidol,1.147,3320,1.114,40.5,0,0,0,0,0,0,0,0,0,0,16,16,1,71.319,0.502,6.33 +pimozide,0.449,64.35,0.701,33.78,0,0,0,0,0,0,0.909,7473,0.451,10440,0.431,0.431,1,1.912,0.383,0.431 +vandetanib,0.716,6058,0.804,251.9,0,0,0,0,0,0,0.294,215377568,1.048,175346,255.4,255.4,2,280.9,0.733,255.4 +tamoxifen,0.757,5704,0.773,3503,0,0,0,0,0,0,0,0,0.658,122208,21,21,0,609,0.92,21 +loratadine,0.56,703,0.622,26825,0,0,0,0,0,0,0,0,0.536,520029,0.45,0.45,0,4388.5,0.685,0.45 +clozapine,0.924,5465,0.726,2620,0,0,0,0,0,0,1.337,76920,0.578,254597,71,71,1,1820,0.886,71 +nifedipine,0.666,11.49,0.743,141260,0,0,0,0,0,0,1.595,69958,1.113,28441,7.7,7.7,0,0,0,7.7 +nitrendipine,0.4757,38.37,0.5225,19744,0,0,0,0,0,0,0,0,0.5766,21939,3.02,3.02,0,0,0,3.02 +verapamil_1_phase2,1.096809669,201.7832944,1.095862939,498.6172819,0.82,13429.25,0.27,348913215.6,0,0,1.03,7028.01,0,0,0.045003767,0.088,0,288,0.96,81 +verapamil_2_phase2,1.096809669,201.7832944,1.095862939,498.6172819,0.82,13429.25,0.27,348913215.6,0,0,1.03,7028.01,0,0,0.045003767,0.088,0,288,0.96,81 +verapamil3,1.096809669,201.7832944,1.095862939,498.6172819,0.82,13429.25,0.27,348913215.6,0,0,1.03,7028.01,0,0,0.045003767,0.088,0,288,0.96,81 +verapamil4,1.096809669,201.7832944,1.095862939,498.6172819,0.82,13429.25,0.27,348913215.6,0,0,1.03,7028.01,0,0,0.045003767,0.088,0,288,0.96,81 diff --git a/nanion8rand_AP_simulation/data/readme.txt b/nanion8rand_AP_simulation/data/readme.txt new file mode 100644 index 0000000..8b13789 --- /dev/null +++ b/nanion8rand_AP_simulation/data/readme.txt @@ -0,0 +1 @@ + diff --git a/nanion8rand_AP_simulation/funs/get_pars.R b/nanion8rand_AP_simulation/funs/get_pars.R new file mode 100644 index 0000000..4357dfc --- /dev/null +++ b/nanion8rand_AP_simulation/funs/get_pars.R @@ -0,0 +1,91 @@ +# File: get_pars.R +# Author: Kelly Chang +# Date: Sep 2017 +# Version: 1.0 +# +# Description: Helper R function that returns the model parameters for a +# specified simulation type (e.g. control, drug with fixed +# inputs, drug with uncertainty inputs, etc.). +# + +get_pars<-function(parfile, drug="control", free=0, isamp=0, bootpath=NA, mcmcpath=NA, drop=NA, optimized=TRUE){ + if(free<0) stop("get_pars(): negative concentration!") + if(isamp<0) stop("get_pars(): negative sample number!") + if(drug!="control" && (is.na(bootpath) || is.na(mcmcpath))) + stop("get_pars(): must specify bootpath and mcmcpath!") + + # read default parameters from file + tmp<-read.table(parfile, col.names=c("param","value")) + pars<-setNames(tmp$value, tmp$param) + + pars["GKrfc"] = 1.1 #manual adjustment of IKr conductance + pars["T"] = 37 + + if(drug=="control"){ + pars["Kmax"]=0 + pars["Kt"]=0 + + free=0 + }else{ + # load drug pars + if(isamp==0){ # use optimal parameters + hERGfile<- sprintf("%s/%s/pars.txt",bootpath,drug) + if(file.exists(hERGfile)){ + tmp<-read.table(sprintf("%s/%s/pars.txt",bootpath,drug), header=FALSE, row.names=1) + }else{ #file not copied yet + hERGpath<- paste0(bootpath,"/",drug) + system(paste0("mkdir -p ",hERGpath)) + system(paste0("cp ~/documents/cardio/HERGMMCMAES/Output/",drug,"/noE4031subtraction/pars.txt ",hERGpath,"/")) + tmp<-read.table(sprintf("%s/%s/pars.txt",bootpath,drug), header=FALSE, row.names=1) + } + rownames(tmp)[1]<-"Kmax" #if file copied from HERGMMCMAES fitting, then the parameter is called "Kf": need to change! + #and you need to change it here rather than within the brackets above! + hERGpars<-t(tmp)[1,] + IC50table<-read.csv(sprintf("%s/%s/IC50_optimal.csv",mcmcpath,drug)) + }else{ # use uncertainty sample + tmp<-read.csv(sprintf("%s/%s/boot_pars.csv",bootpath,drug)) + hERGpars<-unlist(tmp[isamp,]) + mcmctable<-read.csv(sprintf("%s/%s/IC50_samples.csv",mcmcpath,drug)) + IC50table<-mcmctable[isamp,] + } + + ispar<-names(hERGpars)%in%names(pars) + pars[names(hERGpars)[ispar]]<-hERGpars[ispar] + + pars["Kt"]<-3.5e-5 + if(!is.na(drop)){ + if(drop=="hERG"){ + pars["Kmax"]=0 + pars["Kt"]=0 + }else{ + IC50table[,paste0(drop,"_IC50")]<-NA + IC50table[,paste0(drop,"_h")]<-NA + } + } + + # IC50s + if(free > 0 ){ + print("Scaling ionic currents according to IC50 values.") + if("INa_IC50"%in%colnames(IC50table) && !is.na(IC50table$INa_IC50)) + pars["GNafc"]<- 1+(free/IC50table$INa_IC50)^IC50table$INa_h + if("INaL_IC50"%in%colnames(IC50table) && !is.na(IC50table$INaL_IC50)) + pars["GNaLfc"]<-1+(free/IC50table$INaL_IC50)^IC50table$INaL_h + + if("ICaL_IC50"%in%colnames(IC50table) && !is.na(IC50table$ICaL_IC50)) + pars["PCafc"]<- 1+(free/IC50table$ICaL_IC50)^IC50table$ICaL_h + + }#if there is drug then do IC50s + } + + if(optimized){ + print("Applying optimized scaling factors.") + pars["GKrfc"]<-pars["GKrfc"]/1.114 + pars["GNaLfc"]<-pars["GNaLfc"]/2.661 + pars["GKsfc"]<-pars["GKsfc"]/1.870 + pars["GK1fc"]<-pars["GK1fc"]/1.698 + pars["PCafc"]<-pars["PCafc"]/1.007 + } + + # return new parameters + pars +} diff --git a/nanion8rand_AP_simulation/funs/get_randpars.R b/nanion8rand_AP_simulation/funs/get_randpars.R new file mode 100644 index 0000000..dd04089 --- /dev/null +++ b/nanion8rand_AP_simulation/funs/get_randpars.R @@ -0,0 +1,98 @@ +# File: get_pars.R +# Author: Kelly Chang +# Date: Sep 2017 +# Version: 1.0 +# +# Description: Helper R function that returns the model parameters for a +# specified simulation type (e.g. control, drug with fixed +# inputs, drug with uncertainty inputs, etc.). +# + +get_pars<-function(parfile, drug="control", free=0, isamp=0, bootpath=NA, mcmcpath=NA, drop=NA, optimized=TRUE){ + if(free<0) stop("get_pars(): negative concentration!") + if(isamp<0) stop("get_pars(): negative sample number!") + if(drug!="control" && (is.na(bootpath) || is.na(mcmcpath))) + stop("get_pars(): must specify bootpath and mcmcpath!") + + # read default parameters from file + tmp<-read.table(parfile, col.names=c("param","value")) + pars<-setNames(tmp$value, tmp$param) + + pars["GKrfc"] = 1.1 #manual adjustment of IKr conductance + pars["T"] = 37 + + if(drug=="control"){ + pars["Kmax"]=0 + pars["Kt"]=0 + + free=0 + }else{ + # load drug pars + if(isamp==0){ # use optimal parameters + hERGfile<- sprintf("%s/%s/pars.txt",bootpath,drug) + if(file.exists(hERGfile)){ + tmp<-read.table(sprintf("%s/%s/pars.txt",bootpath,drug), header=FALSE, row.names=1) + }else{ #file not copied yet + hERGpath<- paste0(bootpath,"/",drug) + system(paste0("mkdir -p ",hERGpath)) + system(paste0("cp ~/documents/cardio/HERGMMCMAES/Output/",drug,"/noE4031subtraction/pars.txt ",hERGpath,"/")) + tmp<-read.table(sprintf("%s/%s/pars.txt",bootpath,drug), header=FALSE, row.names=1) + } + rownames(tmp)[1]<-"Kmax" #if file copied from HERGMMCMAES fitting, then the parameter is called "Kf": need to change! + #and you need to change it here rather than within the brackets above! + hERGpars<-t(tmp)[1,] + + tmp<-read.csv(sprintf("%s/%s/boot_pars.csv",bootpath,drug)) + tmp<-apply(tmp, 2, function(x) median(sample(x,2000,replace=T))) + hERGpars<-unlist(tmp) + + IC50table<-read.csv(sprintf("%s/%s/IC50_optimal.csv",mcmcpath,drug)) + }else{ # use uncertainty sample + tmp<-read.csv(sprintf("%s/%s/boot_pars.csv",bootpath,drug)) + #tmp<-apply(tmp, 2, function(x) sample(x,2000,replace=T)) + tmp<-tmp[sample(2000,2000,replace=T),] + hERGpars<-unlist(tmp[isamp,]) + mcmctable<-read.csv(sprintf("%s/%s/IC50_samples.csv",mcmcpath,drug)) + IC50table<-mcmctable[isamp,] + } + + ispar<-names(hERGpars)%in%names(pars) + pars[names(hERGpars)[ispar]]<-hERGpars[ispar] + + pars["Kt"]<-3.5e-5 + if(!is.na(drop)){ + if(drop=="hERG"){ + pars["Kmax"]=0 + pars["Kt"]=0 + }else{ + IC50table[,paste0(drop,"_IC50")]<-NA + IC50table[,paste0(drop,"_h")]<-NA + } + } + + # IC50s + if(free > 0 ){ + print("Scaling ionic currents according to IC50 values.") + if("INa_IC50"%in%colnames(IC50table) && !is.na(IC50table$INa_IC50)) + pars["GNafc"]<- 1+(free/IC50table$INa_IC50)^IC50table$INa_h + if("INaL_IC50"%in%colnames(IC50table) && !is.na(IC50table$INaL_IC50)) + pars["GNaLfc"]<-1+(free/IC50table$INaL_IC50)^IC50table$INaL_h + + if("ICaL_IC50"%in%colnames(IC50table) && !is.na(IC50table$ICaL_IC50)) + pars["PCafc"]<- 1+(free/IC50table$ICaL_IC50)^IC50table$ICaL_h + + }#if there is drug then do IC50s + } + + if(optimized){ + print("Applying optimized scaling factors.") + pars["GKrfc"]<-pars["GKrfc"]/1.114 + pars["GNaLfc"]<-pars["GNaLfc"]/2.661 + pars["GKsfc"]<-pars["GKsfc"]/1.870 + pars["GK1fc"]<-pars["GK1fc"]/1.698 + pars["PCafc"]<-pars["PCafc"]/1.007 + } + + # return new parameters + pars +} diff --git a/nanion8rand_AP_simulation/funs/metric_funs.R b/nanion8rand_AP_simulation/funs/metric_funs.R new file mode 100644 index 0000000..588ed40 --- /dev/null +++ b/nanion8rand_AP_simulation/funs/metric_funs.R @@ -0,0 +1,29 @@ +# File: metric_funs.R +# Author: Kelly Chang +# Date: Sep 2017 +# Version: 1.0 +# +# Description: Helper R functions to find various points in a trace. +# + +find_dxdtMax<-function(t, x){ + dxdt<-diff(x) / diff(t) + i_max<-which.max(dxdt)[1] + t_max<-t[i_max] + up_max<-dxdt[i_max] + list(value=up_max, t=t_max) +} + +find_max<-function(t, x){ + i_max<-which.max(x)[1] + t_max<-t[i_max] + xmax<-x[i_max] + list(value=xmax, t=t_max) +} + +find_rep<-function(t, x, xrest, idx_max, pct){ + xrep<-xrest+(x[idx_max]-xrest)*(1-pct) + idx_rep<-which(x<=xrep & t>t[idx_max])[1] + t_rep<-t[idx_rep] + list(value=xrep, t=t_rep) +} diff --git a/nanion8rand_AP_simulation/models/newordherg_pars.txt b/nanion8rand_AP_simulation/models/newordherg_pars.txt new file mode 100644 index 0000000..e99f2d2 --- /dev/null +++ b/nanion8rand_AP_simulation/models/newordherg_pars.txt @@ -0,0 +1,59 @@ +celltype 0 +GKrfc 1 +GNaLfc 1 +GNafc 1 +GKsfc 1 +GK1fc 1 +PCafc 1 +Gtofc 1 +A1 0.0264 +B1 4.631e-05 +q1 4.843 +A2 4.986e-06 +B2 -0.004226 +q2 4.23 +A3 0.001214 +B3 0.008516 +q3 4.962 +A4 1.854e-05 +B4 -0.04641 +q4 3.769 +A11 0.0007868 +B11 1.535e-08 +q11 4.942 +A21 5.455e-06 +B21 -0.1688 +q21 4.156 +A31 0.005509 +B31 7.771e-09 +q31 4.22 +A41 0.001416 +B41 -0.02877 +q41 1.459 +A51 0.4492 +B51 0.008595 +q51 5 +A52 0.3181 +B52 3.613e-08 +q52 4.663 +A53 0.149 +B53 0.004668 +q53 2.412 +A61 0.01241 +B61 0.1725 +q61 5.568 +A62 0.3226 +B62 -0.0006575 +q62 5 +A63 0.008978 +B63 -0.02215 +q63 5.682 +Kmax 0 +Ku 0 +n 1 +halfmax 1 +Kt 3.5e-05 +Vhalf 1 +T 37 +ko 5.4 +amp -80 diff --git a/nanion8rand_AP_simulation/models/newordherg_qNet.c b/nanion8rand_AP_simulation/models/newordherg_qNet.c new file mode 100644 index 0000000..317980c --- /dev/null +++ b/nanion8rand_AP_simulation/models/newordherg_qNet.c @@ -0,0 +1,696 @@ +// Copyright (c) 2011-2015 by Thomas O'Hara, Yoram Rudy, +// Washington University in St. Louis. +// All rights reserved. +// +// Redistribution and use in source and binary forms, with or without +// modification, are permitted provided that the following conditions are +// met: +// +// 1. Redistributions of source code must retain the above copyright notice, +// this list of conditions and the following disclaimer. +// +// 2. Redistributions in binary form must reproduce the above copyright +// notice, this list of conditions and the following disclaimer in the +// documentation and/or other materials provided with the distribution. +// +// 3. Neither the names of the copyright holders nor the names of its +// contributors may be used to endorse or promote products derived from +// this software without specific prior written permission. +// +// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS +// IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED +// TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A +// PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT +// HOLDERS OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, +// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT +// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF +// USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND +// ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, +// OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF +// THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH +// DAMAGE. +// + +// C implementation of the IKr-dynamic O'Hara-Rudy dynamic (ORd) model for +// the undiseased human ventricular action potential and calcium transient. +// This code can be compiled into a dynamically linked library (DLL) for use +// in the R software environment (https://www.R-project.org/) with the +// following command: +// R> system("R CMD SHLIB newordherg_qNet.c") +// +// The IKr-dynamic ORd model was modified from the original ORd model to +// include a Markov model for IKr gating and drug binding kinetics. It is +// described in the article "Improving the in silico assessment of +// proarrhythmia risk by combining hERG (Human Ether-à-go-go-Related Gene) +// channel-drug binding kinetics and multichannel pharmacology" +// by Zhihua Li, Sara Dutta, Jiansong Sheng, Phu N. Tran, Wendy Wu, Kelly +// Chang, Thembi Mdluli, David G. Strauss, and Thomas Colatsky +// Link: http://circep.ahajournals.org/content/10/2/e004628.abstract +// +// This version of the model code includes the integration of an additional +// variable to compute qNet, a metric which is described in the article +// "Optimization of an In silico Cardiac Cell Model for Proarrhythmia Risk +// Assessment" +// by Sara Dutta, Kelly C. Chang, Kylie A. Beattie, Jiansong Sheng, Phu N. +// Tran, Wendy W. Wu, Min Wu, David G. Strauss, Thomas Colatsky, and Zhihua +// Li +// Link: https://www.frontiersin.org/article/10.3389/fphys.2017.00616 +// +// Email: zhihua.li@fda.hhs.gov +// Web: https://github.com/FDA/CiPA +// + +#include +#include +#include +#include +#include +static double parms[59]; //celltype plus 7 channels plus hERGMM parameters +#define celltype parms[0] +#define GKrfc parms[1] +#define GNaLfc parms[2] +#define GNafc parms[3] +#define GKsfc parms[4] +#define GK1fc parms[5] +#define PCafc parms[6] +#define Gtofc parms[7] +#define A1 parms[8] +#define B1 parms[9] +#define q1 parms[10] +#define A2 parms[11] +#define B2 parms[12] +#define q2 parms[13] +#define A3 parms[14] +#define B3 parms[15] +#define q3 parms[16] +#define A4 parms[17] +#define B4 parms[18] +#define q4 parms[19] +#define A11 parms[20] +#define B11 parms[21] +#define q11 parms[22] +#define A21 parms[23] +#define B21 parms[24] +#define q21 parms[25] +#define A31 parms[26] +#define B31 parms[27] +#define q31 parms[28] +#define A41 parms[29] +#define B41 parms[30] +#define q41 parms[31] +#define A51 parms[32] +#define B51 parms[33] +#define q51 parms[34] +#define A52 parms[35] +#define B52 parms[36] +#define q52 parms[37] +#define A53 parms[38] +#define B53 parms[39] +#define q53 parms[40] +#define A61 parms[41] +#define B61 parms[42] +#define q61 parms[43] +#define A62 parms[44] +#define B62 parms[45] +#define q62 parms[46] +#define A63 parms[47] +#define B63 parms[48] +#define q63 parms[49] +#define Kmax parms[50] +#define Ku parms[51] +#define n parms[52] +#define halfmax parms[53] +#define Kt parms[54] +#define Vhalf parms[55] +#define Temp parms[56] +#define ko parms[57] +#define amp parms[58] + + + +void initmod(void (* odeparms)(int *, double *)){ +int N=59; +odeparms(&N, parms);} + +void derivs (int *neq, double *t, double *y, double *ydot, double *yout, int *ip){ +if (ip[0] < 8 ) error("nout not enough!"); //7 currents as additional output plus dv (ydot[0]) + +//extracellular ionic concentrations +double nao=140.0; +double cao=1.8; + +//physical constants +double R=8314.0; +double T=310.0; +double F=96485.0; + +//cell geometry +double L=0.01; +double rad=0.0011; +double vcell=1000*3.14*rad*rad*L; +double Ageo=2*3.14*rad*rad+2*3.14*rad*L; +double Acap=2*Ageo; +double vmyo=0.68*vcell; +double vnsr=0.0552*vcell; +double vjsr=0.0048*vcell; +double vss=0.02*vcell; + +//give names to the state vector values +double v=y[0]; +double nai=y[1]; +double nass=y[2]; +double ki=y[3]; +double kss=y[4]; +double cai=y[5]; +double cass=y[6]; +double cansr=y[7]; +double cajsr=y[8]; +double m=y[9]; +double hf=y[10]; +double hs=y[11]; +double j=y[12]; +double hsp=y[13]; +double jp=y[14]; +double mL=y[15]; +double hL=y[16]; +double hLp=y[17]; +double a=y[18]; +double iF=y[19]; +double iS=y[20]; +double ap=y[21]; +double iFp=y[22]; +double iSp=y[23]; +double d=y[24]; +double ff=y[25]; +double fs=y[26]; +double fcaf=y[27]; +double fcas=y[28]; +double jca=y[29]; +double nca=y[30]; +double ffp=y[31]; +double fcafp=y[32]; +double xs1=y[33]; +double xs2=y[34]; +double xk1=y[35]; +double Jrelnp=y[36]; +double Jrelp=y[37]; +double CaMKt=y[38]; +double IC1=y[39]; +double IC2=y[40]; +double C1=y[41]; +double C2=y[42]; +double O=y[43]; +double IO=y[44]; +double IObound=y[45]; +double Obound=y[46]; +double Cbound=y[47]; +double D=y[48]; + +//CaMK constants +double KmCaMK=0.15; + +double aCaMK=0.05; +double bCaMK=0.00068; +double CaMKo=0.05; +double KmCaM=0.0015; +//update CaMK +double CaMKb=CaMKo*(1.0-CaMKt)/(1.0+KmCaM/cass); +double CaMKa=CaMKb+CaMKt; +ydot[38]=aCaMK*CaMKb*(CaMKb+CaMKt)-bCaMK*CaMKt; + +//reversal potentials +double ENa=(R*T/F)*log(nao/nai); +double EK=(R*T/F)*log(ko/ki); +double PKNa=0.01833; +double EKs=(R*T/F)*log((ko+PKNa*nao)/(ki+PKNa*nai)); + +//convenient shorthand calculations +double vffrt=v*F*F/(R*T); +double vfrt=v*F/(R*T); + +//calculate INa +double mss=1.0/(1.0+exp((-(v+39.57))/9.871)); +double tm=1.0/(6.765*exp((v+11.64)/34.77)+8.552*exp(-(v+77.42)/5.955)); +ydot[9]=(mss-m)/tm; +double hss=1.0/(1+exp((v+82.90)/6.086)); +double thf=1.0/(1.432e-5*exp(-(v+1.196)/6.285)+6.149*exp((v+0.5096)/20.27)); +double ths=1.0/(0.009794*exp(-(v+17.95)/28.05)+0.3343*exp((v+5.730)/56.66)); +double Ahf=0.99; +double Ahs=1.0-Ahf; +ydot[10]=(hss-hf)/thf; +ydot[11]=(hss-hs)/ths; +double h=Ahf*hf+Ahs*hs; +double jss=hss; +double tj=2.038+1.0/(0.02136*exp(-(v+100.6)/8.281)+0.3052*exp((v+0.9941)/38.45)); +ydot[12]=(jss-j)/tj; +double hssp=1.0/(1+exp((v+89.1)/6.086)); +double thsp=3.0*ths; +ydot[13]=(hssp-hsp)/thsp; +double hp=Ahf*hf+Ahs*hsp; +double tjp=1.46*tj; +ydot[14]=(jss-jp)/tjp; +double GNa=75/GNafc; +double fINap=(1.0/(1.0+KmCaMK/CaMKa)); +double INa=GNa*(v-ENa)*pow(m,3.0)*((1.0-fINap)*h*j+fINap*hp*jp); + +//calculate INaL +double mLss=1.0/(1.0+exp((-(v+42.85))/5.264)); +double tmL=tm; +ydot[15]=(mLss-mL)/tmL; +double hLss=1.0/(1.0+exp((v+87.61)/7.488)); +double thL=200.0; +ydot[16]=(hLss-hL)/thL; +double hLssp=1.0/(1.0+exp((v+93.81)/7.488)); +double thLp=3.0*thL; +ydot[17]=(hLssp-hLp)/thLp; +double GNaL=0.0075/GNaLfc; +if (celltype==1) + GNaL=GNaL*0.6; + +double fINaLp=(1.0/(1.0+KmCaMK/CaMKa)); +double INaL=GNaL*(v-ENa)*mL*((1.0-fINaLp)*hL+fINaLp*hLp); + +//calculate Ito +double ass=1.0/(1.0+exp((-(v-14.34))/14.82)); +double ta=1.0515/(1.0/(1.2089*(1.0+exp(-(v-18.4099)/29.3814)))+3.5/(1.0+exp((v+100.0)/29.3814))); +ydot[18]=(ass-a)/ta; +double iss=1.0/(1.0+exp((v+43.94)/5.711)); +double delta_epi=1.0; +if (celltype==1){ + delta_epi=1.0-(0.95/(1.0+exp((v+70.0)/5.0))); +}else{ + delta_epi=1.0; +} +double tiF=4.562+1/(0.3933*exp((-(v+100.0))/100.0)+0.08004*exp((v+50.0)/16.59)); +double tiS=23.62+1/(0.001416*exp((-(v+96.52))/59.05)+1.780e-8*exp((v+114.1)/8.079)); +tiF=tiF*delta_epi; +tiS=tiS*delta_epi; +double AiF=1.0/(1.0+exp((v-213.6)/151.2)); +double AiS=1.0-AiF; +ydot[19]=(iss-iF)/tiF; +ydot[20]=(iss-iS)/tiS; +double i=AiF*iF+AiS*iS; +double assp=1.0/(1.0+exp((-(v-24.34))/14.82)); +ydot[21]=(assp-ap)/ta; +double dti_develop=1.354+1.0e-4/(exp((v-167.4)/15.89)+exp(-(v-12.23)/0.2154)); +double dti_recover=1.0-0.5/(1.0+exp((v+70.0)/20.0)); +double tiFp=dti_develop*dti_recover*tiF; +double tiSp=dti_develop*dti_recover*tiS; +ydot[22]=(iss-iFp)/tiFp; +ydot[23]=(iss-iSp)/tiSp; +double myip=AiF*iFp+AiS*iSp; +double Gto=0.02/Gtofc; +if (celltype==1){ + Gto=Gto*4.0; +}else if (celltype==2){ + Gto=Gto*4.0; +} +double fItop=(1.0/(1.0+KmCaMK/CaMKa)); +double Ito=Gto*(v-EK)*((1.0-fItop)*a*i+fItop*ap*myip); + + +//calculate ICaL, ICaNa, ICaK +double dss=1.0/(1.0+exp((-(v+3.940))/4.230)); +double td=0.6+1.0/(exp(-0.05*(v+6.0))+exp(0.09*(v+14.0))); +ydot[24]=(dss-d)/td; +double fss=1.0/(1.0+exp((v+19.58)/3.696)); +double tff=7.0+1.0/(0.0045*exp(-(v+20.0)/10.0)+0.0045*exp((v+20.0)/10.0)); +double tfs=1000.0+1.0/(0.000035*exp(-(v+5.0)/4.0)+0.000035*exp((v+5.0)/6.0)); +double Aff=0.6; +double Afs=1.0-Aff; +ydot[25]=(fss-ff)/tff; +ydot[26]=(fss-fs)/tfs; +double f=Aff*ff+Afs*fs; +double fcass=fss; +double tfcaf=7.0+1.0/(0.04*exp(-(v-4.0)/7.0)+0.04*exp((v-4.0)/7.0)); +double tfcas=100.0+1.0/(0.00012*exp(-v/3.0)+0.00012*exp(v/7.0)); +double Afcaf=0.3+0.6/(1.0+exp((v-10.0)/10.0)); +double Afcas=1.0-Afcaf; +ydot[27]=(fcass-fcaf)/tfcaf; +ydot[28]=(fcass-fcas)/tfcas; +double fca=Afcaf*fcaf+Afcas*fcas; +double tjca=75.0; +ydot[29]=(fcass-jca)/tjca; +double tffp=2.5*tff; +ydot[31]=(fss-ffp)/tffp; +double fp=Aff*ffp+Afs*fs; +double tfcafp=2.5*tfcaf; +ydot[32]=(fcass-fcafp)/tfcafp; +double fcap=Afcaf*fcafp+Afcas*fcas; +double Kmn=0.002; +double k2n=1000.0; +double km2n=jca*1.0; +double anca=1.0/(k2n/km2n+pow((1.0+Kmn/cass),4.0)); +ydot[30]=anca*k2n-nca*km2n; +double PhiCaL=4.0*vffrt*(cass*exp(2.0*vfrt)-0.341*cao)/(exp(2.0*vfrt)-1.0); +double PhiCaNa=1.0*vffrt*(0.75*nass*exp(1.0*vfrt)-0.75*nao)/(exp(1.0*vfrt)-1.0); +double PhiCaK=1.0*vffrt*(0.75*kss*exp(1.0*vfrt)-0.75*ko)/(exp(1.0*vfrt)-1.0); +double zca=2.0; +double PCa=0.0001/PCafc; +if (celltype==1){ + PCa=PCa*1.2; +}else if (celltype==2){ + PCa=PCa*2.5; +} +double PCap=1.1*PCa; +double PCaNa=0.00125*PCa; +double PCaK=3.574e-4*PCa; +double PCaNap=0.00125*PCap; +double PCaKp=3.574e-4*PCap; +double fICaLp=(1.0/(1.0+KmCaMK/CaMKa)); +double ICaL=(1.0-fICaLp)*PCa*PhiCaL*d*(f*(1.0-nca)+jca*fca*nca)+fICaLp*PCap*PhiCaL*d*(fp*(1.0-nca)+jca*fcap*nca); +double ICaNa=(1.0-fICaLp)*PCaNa*PhiCaNa*d*(f*(1.0-nca)+jca*fca*nca)+fICaLp*PCaNap*PhiCaNa*d*(fp*(1.0-nca)+jca*fcap*nca); +double ICaK=(1.0-fICaLp)*PCaK*PhiCaK*d*(f*(1.0-nca)+jca*fca*nca)+fICaLp*PCaKp*PhiCaK*d*(fp*(1.0-nca)+jca*fcap*nca); + + +//calculate IKr +double GKr=0.046/GKrfc; +if (celltype==1){ + GKr=GKr*1.3; +}else if (celltype==2){ + GKr=GKr*0.8; +} +ydot[39] = -(A11*exp(B11*v)*IC1*exp((Temp-20)*log(q11)/10)-A21*exp(B21*v)*IC2*exp((Temp-20)*log(q21)/10))+(A51*exp(B51*v)*C1*exp((Temp-20)*log(q51)/10)-A61*exp(B61*v)*IC1*exp((Temp-20)*log(q61)/10)); +ydot[40] = (A11*exp(B11*v)*IC1*exp((Temp-20)*log(q11)/10)-A21*exp(B21*v)*IC2*exp((Temp-20)*log(q21)/10))-(A3*exp(B3*y[0])*IC2*exp((Temp-20)*log(q3)/10)-A4*exp(B4*v)*IO*exp((Temp-20)*log(q4)/10))+(A52*exp(B52*v)*C2*exp((Temp-20)*log(q52)/10)-A62*exp(B62*v)*IC2*exp((Temp-20)*log(q62)/10)); +ydot[41] = -(A1*exp(B1*v)*C1*exp((Temp-20)*log(q1)/10)-A2*exp(B2*v)*C2*exp((Temp-20)*log(q2)/10))-(A51*exp(B51*v)*C1*exp((Temp-20)*log(q51)/10)-A61*exp(B61*v)*IC1*exp((Temp-20)*log(q61)/10)); +ydot[42] = (A1*exp(B1*v)*C1*exp((Temp-20)*log(q1)/10)-A2*exp(B2*v)*C2*exp((Temp-20)*log(q2)/10))-(A31*exp(B31*v)*C2*exp((Temp-20)*log(q31)/10)-A41*exp(B41*v)*O*exp((Temp-20)*log(q41)/10))-(A52*exp(B52*v)*C2*exp((Temp-20)*log(q52)/10)-A62*exp(B62*v)*IC2*exp((Temp-20)*log(q62)/10)); +ydot[43] = (A31*exp(B31*v)*C2*exp((Temp-20)*log(q31)/10)-A41*exp(B41*v)*O*exp((Temp-20)*log(q41)/10))-(A53*exp(B53*v)*O*exp((Temp-20)*log(q53)/10)-A63*exp(B63*v)*IO*exp((Temp-20)*log(q63)/10))-(Kmax*Ku*exp(n*log(D))/(exp(n*log(D))+halfmax)*O-Ku*Obound); +ydot[44] = (A3*exp(B3*v)*IC2*exp((Temp-20)*log(q3)/10)-A4*exp(B4*v)*IO*exp((Temp-20)*log(q4)/10))+(A53*exp(B53*v)*O*exp((Temp-20)*log(q53)/10)-A63*exp(B63*v)*IO*exp((Temp-20)*log(q63)/10))-(Kmax*Ku*exp(n*log(D))/(exp(n*log(D))+halfmax)*IO-Ku*A53*exp(B53*v)*exp((Temp-20)*log(q53)/10)/(A63*exp(B63*v)*exp((Temp-20)*log(q63)/10))*IObound); +ydot[45] = (Kmax*Ku*exp(n*log(D))/(exp(n*log(D))+halfmax)*IO-Ku*A53*exp(B53*v)*exp((Temp-20)*log(q53)/10)/(A63*exp(B63*v)*exp((Temp-20)*log(q63)/10))*IObound)+(Kt/(1+exp(-(v-Vhalf)/6.789))*Cbound-Kt*IObound); +ydot[46] = (Kmax*Ku*exp(n*log(D))/(exp(n*log(D))+halfmax)*O-Ku*Obound)+(Kt/(1+exp(-(v-Vhalf)/6.789))*Cbound-Kt*Obound); +ydot[47] = -(Kt/(1+exp(-(v-Vhalf)/6.789))*Cbound-Kt*Obound)-(Kt/(1+exp(-(v-Vhalf)/6.789))*Cbound-Kt*IObound); +ydot[48] = 0; +double IKr=GKr*sqrt(ko/5.4)*O*(v-EK); + +//calculate IKs +double xs1ss=1.0/(1.0+exp((-(v+11.60))/8.932)); +double txs1=817.3+1.0/(2.326e-4*exp((v+48.28)/17.80)+0.001292*exp((-(v+210.0))/230.0)); +ydot[33]=(xs1ss-xs1)/txs1; +double xs2ss=xs1ss; +double txs2=1.0/(0.01*exp((v-50.0)/20.0)+0.0193*exp((-(v+66.54))/31.0)); +ydot[34]=(xs2ss-xs2)/txs2; +double KsCa=1.0+0.6/(1.0+pow((3.8e-5/cai),1.4)); +double GKs=0.0034/GKsfc; +if (celltype==1){ + GKs=GKs*1.4; +} +double IKs=GKs*KsCa*xs1*xs2*(v-EKs); + +double xk1ss=1.0/(1.0+exp(-(v+2.5538*ko+144.59)/(1.5692*ko+3.8115))); +double txk1=122.2/(exp((-(v+127.2))/20.36)+exp((v+236.8)/69.33)); +ydot[35]=(xk1ss-xk1)/txk1; +double rk1=1.0/(1.0+exp((v+105.8-2.6*ko)/9.493)); +double GK1=0.1908/GK1fc; +if (celltype==1){ + GK1=GK1*1.2; +}else if (celltype==2){ + GK1=GK1*1.3; +} +double IK1=GK1*sqrt(ko)*rk1*xk1*(v-EK); + + +//calculate INaCa_i +double kna1=15.0; +double kna2=5.0; +double kna3=88.12; +double kasymm=12.5; +double wna=6.0e4; +double wca=6.0e4; +double wnaca=5.0e3; +double kcaon=1.5e6; +double kcaoff=5.0e3; +double qna=0.5224; +double qca=0.1670; +double hca=exp((qca*v*F)/(R*T)); +double hna=exp((qna*v*F)/(R*T)); +double h1=1+nai/kna3*(1+hna); +double h2=(nai*hna)/(kna3*h1); +double h3=1.0/h1; +double h4=1.0+nai/kna1*(1+nai/kna2); +double h5=nai*nai/(h4*kna1*kna2); +double h6=1.0/h4; +double h7=1.0+nao/kna3*(1.0+1.0/hna); +double h8=nao/(kna3*hna*h7); +double h9=1.0/h7; +double h10=kasymm+1.0+nao/kna1*(1.0+nao/kna2); +double h11=nao*nao/(h10*kna1*kna2); +double h12=1.0/h10; +double k1=h12*cao*kcaon; +double k2=kcaoff; +double k3p=h9*wca; +double k3pp=h8*wnaca; +double k3=k3p+k3pp; +double k4p=h3*wca/hca; +double k4pp=h2*wnaca; +double k4=k4p+k4pp; +double k5=kcaoff; +double k6=h6*cai*kcaon; +double k7=h5*h2*wna; +double k8=h8*h11*wna; +double x1=k2*k4*(k7+k6)+k5*k7*(k2+k3); +double x2=k1*k7*(k4+k5)+k4*k6*(k1+k8); +double x3=k1*k3*(k7+k6)+k8*k6*(k2+k3); +double x4=k2*k8*(k4+k5)+k3*k5*(k1+k8); +double E1=x1/(x1+x2+x3+x4); +double E2=x2/(x1+x2+x3+x4); +double E3=x3/(x1+x2+x3+x4); +double E4=x4/(x1+x2+x3+x4); +double KmCaAct=150.0e-6; +double allo=1.0/(1.0+pow((KmCaAct/cai),2.0)); +double zna=1.0; +double JncxNa=3.0*(E4*k7-E1*k8)+E3*k4pp-E2*k3pp; +double JncxCa=E2*k2-E1*k1; +double Gncx=0.0008; +if (celltype==1){ + Gncx=Gncx*1.1; +}else if (celltype==2){ + Gncx=Gncx*1.4; +} +double INaCa_i=0.8*Gncx*allo*(zna*JncxNa+zca*JncxCa); + +//calculate INaCa_ss +h1=1+nass/kna3*(1+hna); +h2=(nass*hna)/(kna3*h1); +h3=1.0/h1; +h4=1.0+nass/kna1*(1+nass/kna2); +h5=nass*nass/(h4*kna1*kna2); +h6=1.0/h4; +h7=1.0+nao/kna3*(1.0+1.0/hna); +h8=nao/(kna3*hna*h7); +h9=1.0/h7; +h10=kasymm+1.0+nao/kna1*(1+nao/kna2); +h11=nao*nao/(h10*kna1*kna2); +h12=1.0/h10; +k1=h12*cao*kcaon; +k2=kcaoff; +k3p=h9*wca; +k3pp=h8*wnaca; +k3=k3p+k3pp; +k4p=h3*wca/hca; +k4pp=h2*wnaca; +k4=k4p+k4pp; +k5=kcaoff; +k6=h6*cass*kcaon; +k7=h5*h2*wna; +k8=h8*h11*wna; +x1=k2*k4*(k7+k6)+k5*k7*(k2+k3); +x2=k1*k7*(k4+k5)+k4*k6*(k1+k8); +x3=k1*k3*(k7+k6)+k8*k6*(k2+k3); +x4=k2*k8*(k4+k5)+k3*k5*(k1+k8); +E1=x1/(x1+x2+x3+x4); +E2=x2/(x1+x2+x3+x4); +E3=x3/(x1+x2+x3+x4); +E4=x4/(x1+x2+x3+x4); +KmCaAct=150.0e-6; +allo=1.0/(1.0+pow((KmCaAct/cass),2.0)); +JncxNa=3.0*(E4*k7-E1*k8)+E3*k4pp-E2*k3pp; +JncxCa=E2*k2-E1*k1; +double INaCa_ss=0.2*Gncx*allo*(zna*JncxNa+zca*JncxCa); + +//calculate INaK +double k1p=949.5; +double k1m=182.4; +double k2p=687.2; +double k2m=39.4; +k3p=1899.0; +double k3m=79300.0; +k4p=639.0; +double k4m=40.0; +double Knai0=9.073; +double Knao0=27.78; +double delta=-0.1550; +double Knai=Knai0*exp((delta*v*F)/(3.0*R*T)); +double Knao=Knao0*exp(((1.0-delta)*v*F)/(3.0*R*T)); +double Kki=0.5; +double Kko=0.3582; +double MgADP=0.05; +double MgATP=9.8; +double Kmgatp=1.698e-7; +double H=1.0e-7; +double eP=4.2; +double Khp=1.698e-7; +double Knap=224.0; +double Kxkur=292.0; +double P=eP/(1.0+H/Khp+nai/Knap+ki/Kxkur); +double a1=(k1p*pow((nai/Knai),3.0))/(pow((1.0+nai/Knai),3.0)+pow((1.0+ki/Kki),2.0)-1.0); +double b1=k1m*MgADP; +double a2=k2p; +double b2=(k2m*pow((nao/Knao),3.0))/(pow((1.0+nao/Knao),3.0)+pow((1.0+ko/Kko),2.0)-1.0); +double a3=(k3p*pow((ko/Kko),2.0))/(pow((1.0+nao/Knao),3.0)+pow((1.0+ko/Kko),2.0)-1.0); +double b3=(k3m*P*H)/(1.0+MgATP/Kmgatp); +double a4=(k4p*MgATP/Kmgatp)/(1.0+MgATP/Kmgatp); +double b4=(k4m*pow((ki/Kki),2.0))/(pow((1.0+nai/Knai),3.0)+pow((1.0+ki/Kki),2.0)-1.0); +x1=a4*a1*a2+b2*b4*b3+a2*b4*b3+b3*a1*a2; +x2=b2*b1*b4+a1*a2*a3+a3*b1*b4+a2*a3*b4; +x3=a2*a3*a4+b3*b2*b1+b2*b1*a4+a3*a4*b1; +x4=b4*b3*b2+a3*a4*a1+b2*a4*a1+b3*b2*a1; +E1=x1/(x1+x2+x3+x4); +E2=x2/(x1+x2+x3+x4); +E3=x3/(x1+x2+x3+x4); +E4=x4/(x1+x2+x3+x4); +double zk=1.0; +double JnakNa=3.0*(E1*a3-E2*b3); +double JnakK=2.0*(E4*b1-E3*a1); +double Pnak=30; +if (celltype==1){ + Pnak=Pnak*0.9; +}else if (celltype==2){ + Pnak=Pnak*0.7; +} +double INaK=Pnak*(zna*JnakNa+zk*JnakK); + + +//calculate IKb +double xkb=1.0/(1.0+exp(-(v-14.48)/18.34)); +double GKb=0.003; +if (celltype==1){ + GKb=GKb*0.6; +} +double IKb=GKb*xkb*(v-EK); + +//calculate INab +double PNab=3.75e-10; +double INab=PNab*vffrt*(nai*exp(vfrt)-nao)/(exp(vfrt)-1.0); + +//calculate ICab +double PCab=2.5e-8; +double ICab=PCab*4.0*vffrt*(cai*exp(2.0*vfrt)-0.341*cao)/(exp(2.0*vfrt)-1.0); + +//calculate IpCa +double GpCa=0.0005; +double IpCa=GpCa*cai/(0.0005+cai); + +////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////// + + +//calculate the stimulus current, Istim +double duration=0.5; +double Istim=0.0; +if (*t<=duration){ + Istim=amp; +}else{ + Istim=0.0; +} + +//update the membrane voltage +ydot[0]=-(INa+INaL+Ito+ICaL+ICaNa+ICaK+IKr+IKs+IK1+INaCa_i+INaCa_ss+INaK+INab+IKb+IpCa+ICab+Istim); + +////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////// + +//calculate diffusion fluxes +double JdiffNa=(nass-nai)/2.0; +double JdiffK=(kss-ki)/2.0; +double Jdiff=(cass-cai)/0.2; + +//calculate ryanodione receptor calcium induced calcium release from the jsr +double bt=4.75; +double a_rel=0.5*bt; +double Jrel_inf=a_rel*(-ICaL)/(1.0+pow((1.5/cajsr),8.0)); +if (celltype==2){ + Jrel_inf=Jrel_inf*1.7; +} +double tau_rel=bt/(1.0+0.0123/cajsr); + +if (tau_rel<0.001){ + tau_rel=0.001; +} + +ydot[36]=(Jrel_inf-Jrelnp)/tau_rel; +double btp=1.25*bt; +double a_relp=0.5*btp; +double Jrel_infp=a_relp*(-ICaL)/(1.0+pow((1.5/cajsr),8.0)); +if (celltype==2){ + Jrel_infp=Jrel_infp*1.7; +} +double tau_relp=btp/(1.0+0.0123/cajsr); + +if (tau_relp<0.001){ + tau_relp=0.001; +} + +ydot[37]=(Jrel_infp-Jrelp)/tau_relp; +double fJrelp=(1.0/(1.0+KmCaMK/CaMKa)); +double Jrel=(1.0-fJrelp)*Jrelnp+fJrelp*Jrelp; + +//calculate serca pump, ca uptake flux +double Jupnp=0.004375*cai/(cai+0.00092); +double Jupp=2.75*0.004375*cai/(cai+0.00092-0.00017); +if (celltype==1){ + Jupnp=Jupnp*1.3; + Jupp=Jupp*1.3; +} +double fJupp=(1.0/(1.0+KmCaMK/CaMKa)); +double Jleak=0.0039375*cansr/15.0; +double Jup=(1.0-fJupp)*Jupnp+fJupp*Jupp-Jleak; + +//calculate tranlocation flux +double Jtr=(cansr-cajsr)/100.0; + +////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////////// + +//calcium buffer constants +double cmdnmax=0.05; +if (celltype==1){ + cmdnmax=cmdnmax*1.3; +} +double kmcmdn=0.00238; +double trpnmax=0.07; +double kmtrpn=0.0005; +double BSRmax=0.047; +double KmBSR=0.00087; +double BSLmax=1.124; +double KmBSL=0.0087; +double csqnmax=10.0; +double kmcsqn=0.8; + +//update intracellular concentrations, using buffers for cai, cass, cajsr +ydot[1]=-(INa+INaL+3.0*INaCa_i+3.0*INaK+INab)*Acap/(F*vmyo)+JdiffNa*vss/vmyo; +ydot[2]=-(ICaNa+3.0*INaCa_ss)*Acap/(F*vss)-JdiffNa; + +ydot[3]=-(Ito+IKr+IKs+IK1+IKb+Istim-2.0*INaK)*Acap/(F*vmyo)+JdiffK*vss/vmyo; +ydot[4]=-(ICaK)*Acap/(F*vss)-JdiffK; + +double Bcai=1.0/(1.0+cmdnmax*kmcmdn/pow((kmcmdn+cai),2.0)+trpnmax*kmtrpn/pow((kmtrpn+cai),2.0)); +ydot[5]=Bcai*(-(IpCa+ICab-2.0*INaCa_i)*Acap/(2.0*F*vmyo)-Jup*vnsr/vmyo+Jdiff*vss/vmyo); + +double Bcass=1.0/(1.0+BSRmax*KmBSR/pow((KmBSR+cass),2.0)+BSLmax*KmBSL/pow((KmBSL+cass),2.0)); +ydot[6]=Bcass*(-(ICaL-2.0*INaCa_ss)*Acap/(2.0*F*vss)+Jrel*vjsr/vss-Jdiff); + +ydot[7]=Jup-Jtr*vjsr/vnsr; + +double Bcajsr=1.0/(1.0+csqnmax*kmcsqn/pow((kmcsqn+cajsr),2.0)); +ydot[8]=Bcajsr*(Jtr-Jrel); + +// integrate currents (qNet) +ydot[49] = INaL+ICaL+Ito+IKr+IKs+IK1; + +//additional output +yout[0] = INa; +yout[1] = INaL; +yout[2] = Ito; +yout[3] = ICaL; +yout[4] = IKr; +yout[5] = IKs; +yout[6] = IK1; +yout[7] = ydot[0]; +} diff --git a/nanion8rand_AP_simulation/models/newordherg_qNet.o b/nanion8rand_AP_simulation/models/newordherg_qNet.o new file mode 100644 index 0000000..3b5b1fc Binary files /dev/null and b/nanion8rand_AP_simulation/models/newordherg_qNet.o differ diff --git a/nanion8rand_AP_simulation/models/newordherg_qNet.so b/nanion8rand_AP_simulation/models/newordherg_qNet.so new file mode 100644 index 0000000..09ed51d Binary files /dev/null and b/nanion8rand_AP_simulation/models/newordherg_qNet.so differ diff --git a/nanion8rand_AP_simulation/models/newordherg_states_CL2000.txt b/nanion8rand_AP_simulation/models/newordherg_states_CL2000.txt new file mode 100644 index 0000000..6a60b44 --- /dev/null +++ b/nanion8rand_AP_simulation/models/newordherg_states_CL2000.txt @@ -0,0 +1,49 @@ +v -88.0145 +nai 6.46961 +nass 6.46967 +ki 145.501 +kss 145.501 +cai 7.45321e-05 +cass 7.30454e-05 +cansr 1.37897 +cajsr 1.37944 +m 0.00733485 +hf 0.698542 +hs 0.698542 +j 0.698542 +hsp 0.455526 +jp 0.698541 +mL 0.000187813 +hL 0.513396 +hLp 0.307923 +a 0.00100025 +iF 0.999555 +iS 0.871715 +ap 0.000509652 +iFp 0.999555 +iSp 0.905466 +d 2.33382e-09 +ff 1 +fs 0.971897 +fcaf 1 +fcas 1 +jca 1 +nca 0.0015391 +ffp 1 +fcafp 1 +xs1 0.130941 +xs2 0.000192517 +xk1 0.996756 +Jrelnp 1.46507e-07 +Jrelp 1.83132e-07 +CaMKt 0.00325232 +IC1 0.999637 +IC2 6.83208e-05 +C1 1.80145e-08 +C2 8.26619e-05 +O 0.00015551 +IO 5.67623e-05 +IObound 0 +Obound 0 +Cbound 0 +D 0 diff --git a/nanion8rand_AP_simulation/results/uncertainty/metrics.rds b/nanion8rand_AP_simulation/results/uncertainty/metrics.rds new file mode 100644 index 0000000..0d41119 Binary files /dev/null and b/nanion8rand_AP_simulation/results/uncertainty/metrics.rds differ diff --git a/nanion8rand_AP_simulation/results/uncertainty/qNetLOOCV_allprobes.csv b/nanion8rand_AP_simulation/results/uncertainty/qNetLOOCV_allprobes.csv new file mode 100644 index 0000000..32e882c --- /dev/null +++ b/nanion8rand_AP_simulation/results/uncertainty/qNetLOOCV_allprobes.csv @@ -0,0 +1,16001 @@ 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+tamoxifen,0,2000,0.0694600882645329,0.574791672352615,0.425048156992446,0.000160170654939549 diff --git a/nanion8rand_AP_simulation/results/uncertainty/qNettraining_errors.csv b/nanion8rand_AP_simulation/results/uncertainty/qNettraining_errors.csv new file mode 100644 index 0000000..f8c1e5d --- /dev/null +++ b/nanion8rand_AP_simulation/results/uncertainty/qNettraining_errors.csv @@ -0,0 +1,2 @@ +intercept1,intercept2,slope,error +80.283863743291,71.8461816436816,-1160.16685540422,0.1178125 diff --git a/nanion8rand_AP_simulation/results/uncertainty/qNettraining_probs.csv b/nanion8rand_AP_simulation/results/uncertainty/qNettraining_probs.csv new file mode 100644 index 0000000..d918cfc --- /dev/null +++ b/nanion8rand_AP_simulation/results/uncertainty/qNettraining_probs.csv @@ -0,0 +1,9 @@ +drug,CiPA,predict_0,predict_1,predict_2 +azimilide,2,0,0,2000 +bepridil,2,15,414,1571 +clarithromycin,1,191,1809,0 +ranolazine,0,1925,75,0 +risperidone,1,451,1549,0 +tamoxifen,0,1528,472,0 +terfenadine,1,0,1748,252 +verapamil,0,2000,0,0 diff --git a/nanion8rand_AP_simulation/results/uncertainty/readme.txt b/nanion8rand_AP_simulation/results/uncertainty/readme.txt new file mode 100644 index 0000000..8b13789 --- /dev/null +++ b/nanion8rand_AP_simulation/results/uncertainty/readme.txt @@ -0,0 +1 @@ + diff --git a/nanion_Hill_fitting/AP_randsimulation.R b/nanion_Hill_fitting/AP_randsimulation.R new file mode 100644 index 0000000..aa1e9a0 --- /dev/null +++ b/nanion_Hill_fitting/AP_randsimulation.R @@ -0,0 +1,316 @@ +# File: AP_simulation.R +# Author: Kelly Chang +# Date: Sep 2017 +# Version: 1.0 +# +# Description: R script to run action potential (AP) simulations with the +# IKr-dynamic ORd model. Drug effects are simulated using +# previously fitted hERG binding kinetic parameters and Hill +# equation parameters for six other ionic currents. The drug +# parameters can be either fixed-input (i.e. optimal), or +# uncertainty-input parameters selected from their sampling +# distributions. Several AP and calcium transient metrics are +# saved, as well as the qNet metric described by Dutta et al.: +# https://www.frontiersin.org/article/10.3389/fphys.2017.00616 +# For help with simulation options, run this script with +# command line option "-h". +# + +proc_start<-proc.time() +#.libPaths("/home/kelly.chang/R/x86_64-pc-linux-gnu-library/3.3") +options(warn=1) + +#--- specify command line arguments +library(optparse) +parser<-OptionParser() +parser<-add_option(parser, c("-d", "--drug"), default="control", help="Drug name") +parser<-add_option(parser, c("-i", "--sample"), default="0", help="Sample number, range, and/or list [default 0 for fixed parameters]") +parser<-add_option(parser, c("-x", "--dose"), default="0", help="Dose as a multiple of therapeutic concentration [default 0]") +parser<-add_option(parser, c("-o", "--omit"), default=FALSE, action="store_true", help="Flag to simulate drug with effects on hERG, ICaL, INaL, INa, IKs, Ito, and IK1 omitted, one at a time") +parser<-add_option(parser, c("-n", "--no_opt_scaling"), default=FALSE, action="store_true", help="Flag to turn off optimized ionic conductance scaling factors") +parser<-add_option(parser, c("-r", "--dropcurrent"), help="Simulate drug with effects on one ionic current omitted [hERG, ICaL, INaL, INa, IKs, Ito, or IK1]") +parser<-add_option(parser, c("-c", "--cmaxfile"), default="data/CiPA_training_drugs.csv", help="Filepath to table of therapeutic concentrations [default data/CiPA_training_drugs.csv]") +parser<-add_option(parser, c("-b", "--hergpath"), default="../hERG_fitting/results/", help="Path to hERG fitting results [default ../hERG_fitting/results/]") +parser<-add_option(parser, c("-m", "--hillpath"), default="../Hill_fitting/results/", help="Path to Hill fitting results [default ../Hill_fitting/results/]") + +args<-parse_args(parser) + +#--- load libraries and helper functions +library(deSolve) +source("funs/get_randpars.R") + +source("funs/metric_funs.R") + +print(sessionInfo()) + +isWindows<-Sys.info()[["sysname"]]=="Windows" + +#--- get arguments +drug<-tolower(args$drug) + +sampstr<-args$sample +dosestr<-args$dose +omit<-args$omit +use_opt_scaling<-!args$no_opt_scaling +dropstr<-args$dropcurrent +cmaxfile<-args$cmaxfile +bootpath<-args$hergpath +mcmcpath<-args$hillpath + +#--- parse sample list, ranges +samp_split<-strsplit(sampstr, ",")[[1]] +samp_list<-lapply(samp_split, + function(s){ + tmp<-as.numeric(strsplit(s, "-")[[1]]) + if(length(tmp)==0 || length(tmp)>2 || any(is.na(tmp))) + stop("Bad sample specifications!") + samp_start<-tmp[1] + samp_stop<-ifelse(length(tmp)==2, tmp[2], tmp[1]) + if(samp_start>samp_stop) + stop("Invalid sample range!") + seq(samp_start, samp_stop) # step size 1 + }) +samples<-do.call(c,samp_list) +if(any(samples<0)) stop("Sample number must be nonnegative!") + +#--- parse dose list, ranges +if(drug=="control"){ + doses<-0 +}else{ + dose_split<-strsplit(dosestr, ",")[[1]] + dose_list<-lapply(dose_split, + function(s){ + tmp<-as.numeric(strsplit(s, "-")[[1]]) + if(length(tmp)==0 || length(tmp)>2 || any(is.na(tmp))) + stop("Bad dose specifications!") + dose_start<-tmp[1] + dose_stop<-ifelse(length(tmp)==2, tmp[2], tmp[1]) + if(dose_start>dose_stop) + stop("Invalid dose range!") + seq(dose_start, dose_stop) # step size 1 + }) + doses<-do.call(c,dose_list) +} +if(any(doses<0)) stop("Dose must be nonnegative!") + +#--- parse dropcurrent +all_currents<-c("hERG","ICaL","INaL","INa","IKs","Ito","IK1") +drop_vec<-NA +if(omit){ + drop_vec<-all_currents +}else if(!is.null(dropstr)){ + if(!dropstr%in%all_currents) + stop(sprintf("Unrecognized current: %s!",dropstr)) + drop_vec<-dropstr +} + +#--- load model +extension<-ifelse(isWindows, ".dll", ".so") +dyn.load(paste0("models/newordherg_qNet",extension)) + +#--- get therapeutic concentration (Cmax) +drugtable<-read.csv(cmaxfile) +cmax<-drugtable[tolower(as.character(drugtable$drug))==drug,"therapeutic"] # should be in nanomolar +if(length(cmax)==0){ + if(drug=="control"){ + cmax<-0 + }else{ + cmax<-1 + print(sprintf("Cmax undefined, interpreting dose as nanomolar concentrations.")) + } +}else if(length(cmax)==1){ + print(sprintf("Cmax set to %g nM, interpreting dose as multiples of Cmax.",cmax)) +}else{ + stop("Multiple entries for %s therapeutic concentration!",drug) +} + +#--- run simulations, optionally removing drug effects on one current at a time +CL<-2000 +beats<-1000 +nsave<-250 +print(sprintf("CL = %s ms, analyzing %d out of %d beats", CL, nsave, beats)) + +for(isamp in samples){ + print(sprintf("Running %s, sample %d, doses %s", drug, isamp, + ifelse(length(doses)==1,doses,args$dose))) + + for(dropcurrent in drop_vec){ + + #--- setup output directory + if(drug=="control" || isamp==0){ + outdir<-"results/fixed/" + }else{ + outdir<-"results/uncertainty/" + } + if(!is.na(dropcurrent)){ + print(sprintf("Omitting drug effects on %s...", dropcurrent)) + outdir<-paste0(outdir,"drop_",dropcurrent,"/") + } + outdir<-paste0(outdir,drug,"/") + if(isamp>0) outdir<-paste0(outdir,sprintf("%05d/",isamp)) + system(paste0("mkdir -p ",outdir)) + + #--- setup simulation outputs + outfile<-paste0(outdir,"metrics.rds") + outdf<-data.frame() + + statefile<-paste0(outdir,"states_max_dv.rds") + statesdf<-data.frame() + + chkpt_intv<-250 + checkfile<-paste0(outdir,"checkpoints.rds") + checksdf<-data.frame() + + #--- run simulations + for(dose in doses){ + conc<-dose*cmax + print(sprintf("dose = %sx Cmax, concentration = %g nM...", dose, conc)) + + pars<-get_pars("models/newordherg_pars.txt", drug, conc, isamp, bootpath, mcmcpath, dropcurrent, use_opt_scaling) + print(pars) + + tmp<-read.table(sprintf("models/newordherg_states_CL%d.txt",CL), col.names=c("param","value")) + states<-setNames(tmp$value, tmp$param) + states[["D"]]<-conc + + # add qNet variable to initial states + states<-c(states, qNet=0) + + fulltimes<-0:CL + + beatstates<-list() + beatdf<-data.frame() + params<-c("INa","INaL","Ito","ICaL","IKr","IKs","IK1","dv") + for(i in 1:beats){ + # run simulation + try({out <- ode(states, fulltimes, "derivs", pars,dllname="newordherg_qNet",initfunc="initmod", nout=length(params),rtol=1e-6,atol=1e-6,method="lsoda")}); + if(!exists("out")||inherits(out,"try-error")||length(out[,1])!=length(fulltimes) + || !all(out[,1]==fulltimes) || any(is.nan(out))){ + stop("solving error!") + } + colnames(out)[1+length(states)+seq_along(params)]<-params + + # save checkpoint + if(i>1 && i%%chkpt_intv==1) + checksdf<-rbind(checksdf,data.frame(drug=drug, CL=CL, dose=dose, beat=i, t(states))) + + # save metrics + if(i>beats-nsave){ + beatstates[[i-(beats-nsave)]]<-data.frame(beat=i, t(states)) # save all beats temporarily + tmpdf<-data.frame(beat=i, t(out[nrow(out),"qNet"])) + + # default values + catd50<-NA + catd90<-NA + apd50<-NA + apd90<-NA + + # Mirams metric calculations + t<-out[,"time"] + v<-out[,"v"] + ca<-out[,"cai"] + t_start<-t[length(t)] # start looking for EAD + t_end<-t[length(t)] # stop looking for EAD + + # transmembrane potential + pt_dvdtmax<-find_dxdtMax(t, v) + t_up<-pt_dvdtmax[["t"]] + tmpdf$dvdtmax<-pt_dvdtmax[["value"]] + + pt_max<-find_max(t, v) + t_max<-pt_max[["t"]] + vmax<-pt_max[["value"]] + i_max<-which(t==t_max) + tmpdf$vmax<-vmax + if(vmax>=0) t_start<-t_max + + vrest<-min(v[t=0 && vrest< -40){ # repolarization + t_rep<-find_rep(t, v, vrest, i_max, 0.3)[["t"]] + if(!is.na(t_rep)){ + t_start<-t_rep # start looking for EAD + + t_rep<-find_rep(t, v, vrest, i_max, 0.5)[["t"]] + if(!is.na(t_rep)){ + apd50<-t_rep-t_up + + t_rep<-find_rep(t, v, vrest, i_max, 0.9)[["t"]] + if(!is.na(t_rep)){ + apd90<-t_rep-t_up + t_end<-t_rep # stop looking for EAD + } + } + } + } + tmpdf$APD50<-apd50 + tmpdf$APD90<-apd90 + + tmpdf$max_dv<-ifelse(t_end-t_start>1, + max(out[t>t_start & tcaup)[1]] + + t_rep<-find_rep(t, ca, carest, i_max, 0.5)[["t"]] + if(!is.na(t_rep)){ + catd50<-t_rep-t_up + + t_rep<-find_rep(t, ca, carest, i_max, 0.9)[["t"]] + if(!is.na(t_rep)){ + catd90<-t_rep-t_up + t_end<-t_rep + } + } + tmpdf$CaTD50<-catd50 + tmpdf$CaTD90<-catd90 + + # append metrics + beatdf<-rbind(beatdf,tmpdf) + } + + # set state variables for next beat + pidx<-match(names(states),colnames(out),nomatch=0) + states[pidx!=0]<-out[dim(out)[1],pidx] + states[length(states)]<-0 # reset integration + + } # for beats + + # save info from last beat, or beat with max_dv + max_vec<-beatdf$max_dv + namaxdv<-is.na(max_vec) + EADs<-sum(max_vec[!namaxdv]>0) + noDepols<-sum(namaxdv) + noRepols<-sum(is.na(beatdf$APD90)) + if(noDepols==length(max_vec)){ + keep<-nrow(beatdf) + print(sprintf("depolarization failure, keeping beat %d",beatdf[keep,"beat"])) + }else{ + keep<-which.max(max_vec) + print(sprintf("max_dv on beat %d",beatdf[keep,"beat"])) + } + + saveRDS(checksdf,checkfile) + + statesdf<-rbind(statesdf,data.frame(dose=dose, beatstates[[keep]])) + saveRDS(statesdf,statefile) + + outdf<-rbind(outdf,data.frame(dose=dose, beatdf[keep,], EADs=EADs, noDepols=noDepols, noRepols=noRepols)) + saveRDS(outdf,outfile) + + } # for dose + } # for dropcurrent +} # for sample + +print(proc.time()-proc_start) diff --git a/nanion_Hill_fitting/AP_uncertainty_jobs.sh b/nanion_Hill_fitting/AP_uncertainty_jobs.sh new file mode 100644 index 0000000..03c2f6f --- /dev/null +++ b/nanion_Hill_fitting/AP_uncertainty_jobs.sh @@ -0,0 +1,33 @@ +#$ -cwd +#$ -l h_rt=24:00:00 +#$ -l h_vmem=2G +#$ -S /bin/sh +#$ -j y +#$ -pe thread 1 +WORKERPERDRUG=1000 +#$ -t 1-27000 #num. drugs x WORKERPERDRUG +#$ -N uncertainty +#$ -o logfiles + +#source /home/kelly.chang/R/source.sh +#disopyramidenoICaL +DRUGNAMES=(\ + dofetilide bepridil sotalol quinidine \ + cisapride terfenadine ondansetron chlorpromazine \ + verapamil ranolazine mexiletine diltiazem \ + ibutilide vandetanib azimilide \ + droperidol domperidone clarithromycin risperidone pimozide clozapine \ + metoprolol loratadine tamoxifen nifedipine nitrendipine astemizole \ + ) + +IDX=$(((SGE_TASK_ID-1)%$WORKERPERDRUG+1)) +SAMPLEPERWORKER=2000/$WORKERPERDRUG +ISTART=$(((IDX-1)*$SAMPLEPERWORKER+1)) +ISTOP=$((IDX*$SAMPLEPERWORKER)) +ISTR="$ISTART"-"$ISTOP" +IDX2=$(((SGE_TASK_ID-IDX)/$WORKERPERDRUG)) +DRUG=${DRUGNAMES[IDX2]} + +DOSE="1-4" + +Rscript AP_simulation.R -d "$DRUG" -x "$DOSE" -i "$ISTR" -c "data/newCiPA.csv" -m "../nanion_Hill_fitting/results" >& logfiles/"$JOB_NAME".o"$JOB_ID"."$SGE_TASK_ID" diff --git a/nanion_Hill_fitting/README.docx b/nanion_Hill_fitting/README.docx new file mode 100644 index 0000000..2d19e5d Binary files /dev/null and b/nanion_Hill_fitting/README.docx differ diff --git a/nanion_Hill_fitting/combine_results.R b/nanion_Hill_fitting/combine_results.R new file mode 100644 index 0000000..3cdd45d --- /dev/null +++ b/nanion_Hill_fitting/combine_results.R @@ -0,0 +1,72 @@ +# File: combine_results.R +# Author: Kelly Chang +# Date: Sep 2017 +# Version: 1.0 +# +# Description: R script to aggregate action potential (AP) simulation +# results. +# For help, run this script with command line option "-h". +# + +#--- specify command line arguments +library(optparse) +parser<-OptionParser() +parser<-add_option(parser, c("-n", "--num_samples"), default=0, type="integer", help="How many uncertainty samples to combine [default 0 combines fixed-input results]") +parser<-add_option(parser, c("-o", "--omit"), default=FALSE, action="store_true", help="Flag to combine drug simulations with ionic current effects omitted") + +args<-parse_args(parser) + +#--- get arguments +nsamp<-args$num_samples +omit<-args$omit + +if(nsamp<0) stop("Number of samples must be nonnegative!") + +# setup output directory +input<-ifelse(nsamp==0, "fixed", "uncertainty") +simdir<-sprintf("results/%s/",input) +if(omit){ + outdir_vec<-Sys.glob(paste0(simdir,"drop_*/")) +}else{ + outdir_vec<-simdir +} + +# get simulation results +for(outdir in outdir_vec){ + filename<-"metrics.rds" + if(input=="fixed"){ + df_list<-list() + for(infile in Sys.glob(paste0(outdir,"*/",filename))){ + if(!file.exists(infile)) next + drug<-sub("/.*","",sub(outdir,"",infile)) + df<-readRDS(infile) + df$drug<-drug + df$sample<-NA + df_list[[drug]]<-df + } + df<-do.call(rbind,df_list) + rownames(df)<-NULL + }else{ + df_list<-list() + for(drugdir in Sys.glob(paste0(outdir,"*/"))){ + drug<-sub("/","",sub(outdir,"",drugdir)) + samp_list<-list() + for(isamp in 1:nsamp){ + infile<-sprintf("%s/%05d/%s",drugdir,isamp,filename) + if(!file.exists(infile)) next + df<-readRDS(infile) + df$drug<-drug + df$sample<-isamp + samp_list[[isamp]]<-df + } + df_list[[drug]]<-do.call(rbind,samp_list) + rownames(df_list[[drug]])<-NULL + } + df<-do.call(rbind,df_list) + rownames(df)<-NULL + } + print(head(df)) + + outfile<-paste0(outdir,filename) + saveRDS(df, outfile) +}# for outdir diff --git a/nanion_Hill_fitting/data/drug_block.csv b/nanion_Hill_fitting/data/drug_block.csv new file mode 100644 index 0000000..8f438e4 --- /dev/null +++ b/nanion_Hill_fitting/data/drug_block.csv @@ -0,0 +1,5497 @@ +"","drug","exp","conc","block_lowest_median","block_raw","block","channel" +"1","astemizole","170816_5_3B",300,10.615,35.62,27.97449236,"INa" +"2","astemizole","170816_5_3B",3,10.615,4.68,-6.639816524,"INa" +"3","astemizole","170816_5_3B",3,10.615,7.8,-3.149297981,"INa" +"4","astemizole","170816_5_3B",300,10.615,25.69,16.86524585,"INa" +"5","astemizole","170816_5_3B",300,10.615,30.32,22.04508586,"INa" +"6","astemizole","170816_5_3B",300,10.615,30.73,22.5037758,"INa" +"7","astemizole","170816_5_3B",3000,10.615,99.51,99.45180959,"INa" +"8","astemizole","170816_5_3B",300,10.615,29.05,20.62426582,"INa" +"9","astemizole","170816_5_3B",0.3,10.615,4.92,-6.371315098,"INa" +"10","astemizole","170816_5_3B",3,10.615,3.92,-7.490071041,"INa" +"11","astemizole","170816_5_3B",3,10.615,9.07,-1.728477933,"INa" +"12","astemizole","170816_5_3B",0.3,10.615,8.1,-2.813671198,"INa" +"13","astemizole","170816_5_3B",3000,10.615,101,101.1187559,"INa" 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+"2485","verapamil","161118_n3",100,-0.17,-7.88,-7.696915244,"INa" +"2486","verapamil","161118_n3",300,-0.17,2.62,2.785265049,"INa" +"2487","verapamil","161118_n3",30,-0.17,4.3,4.462413896,"INa" +"2488","verapamil","161118_n3",30,-0.17,-2.85,-2.675451732,"INa" +"2489","verapamil","161118_n3",30,-0.17,-2.94,-2.765298992,"INa" +"2490","verapamil","161118_n3",30,-0.17,3.33,3.494060098,"INa" +"2491","verapamil","161118_n3",1000,-0.17,8.55,8.705201158,"INa" +"2492","verapamil","161118_n3",100,-0.17,-10.32,-10.13277428,"INa" +"2493","verapamil","161118_n3",100,-0.17,-4.58,-4.402515723,"INa" +"2494","verapamil","161118_n3",300,-0.17,11.86,12.00958371,"INa" +"2495","verapamil","161118_n3",1000,-0.17,8.85,9.004692024,"INa" +"2496","verapamil","161118_n3",300,-0.17,4.33,4.492362983,"INa" +"2497","verapamil","161118_n3",100,-0.17,0.38,0.549066587,"INa" +"2498","verapamil","161118_n3",1000,-0.17,5.08,5.241090147,"INa" +"2499","verapamil","161118_n3",30,-0.17,-5.95,-5.770190676,"INa" +"2500","verapamil","161118_n3",1000,-0.17,1.35,1.517420385,"INa" +"2501","verapamil","161118_n3",1000,-0.17,-7,-6.818408705,"INa" +"2502","verapamil","161118_n3",1000,-0.17,-7.48,-7.29759409,"INa" +"2503","verapamil","161118_n3",30,-0.17,3.75,3.91334731,"INa" +"2504","verapamil","161118_n3",1000,-0.17,2.65,2.815214136,"INa" +"2505","verapamil","161118_n3",30,-0.17,2.04,2.206249376,"INa" +"2506","verapamil","161118_n3",30,-0.17,1.41,1.577318558,"INa" +"2507","verapamil","161118_n3",100,-0.17,7.14,7.29759409,"INa" +"2508","verapamil","161118_n3",300,-0.17,5.2,5.360886493,"INa" +"2509","verapamil","161118_n3",100,-0.17,7.83,7.986423081,"INa" +"2510","verapamil","161118_n3",300,-0.17,-6.91,-6.728561446,"INa" +"2511","verapamil","161118_n3",300,-0.17,-6.97,-6.788459619,"INa" +"2512","verapamil","161118_n3",30,-0.17,1.18,1.347708895,"INa" +"2513","verapamil","161118_n3",100,-0.17,-9.13,-8.94479385,"INa" +"2514","verapamil","161118_n3",300,-0.17,14.35,14.49535789,"INa" +"2515","chlorpromazine","161214_1",100,20.79,32.51,14.7961116,"INa" +"2516","chlorpromazine","161214_1",100,20.79,5.73,-19.01275092,"INa" +"2517","chlorpromazine","161214_1",100,20.79,30.33,12.04393385,"INa" +"2518","chlorpromazine","161214_1",100,20.79,17.25,-4.469132685,"INa" +"2519","chlorpromazine","161214_1",100,20.79,17.19,-4.544880697,"INa" +"2520","chlorpromazine","161214_1",100,20.79,22.42,2.057820982,"INa" +"2521","chlorpromazine","161214_1",100,20.79,3,-22.45928544,"INa" +"2522","chlorpromazine","161214_1",100,20.79,20.79,0,"INa" +"2523","chlorpromazine","161214_1",100,20.79,7.26,-17.08117662,"INa" +"2524","chlorpromazine","161214_1",100,20.79,27.61,8.610023987,"INa" +"2525","chlorpromazine","161214_1",100,20.79,22.31,1.918949628,"INa" +"2526","chlorpromazine","161214_1",100,20.79,18.33,-3.105668476,"INa" +"2527","chlorpromazine","161214_1",100,20.79,23.38,3.269789168,"INa" +"2528","chlorpromazine","161214_1",300,20.79,43.19,28.27925767,"INa" +"2529","chlorpromazine","161214_1",300,20.79,34.69,17.54828936,"INa" +"2530","chlorpromazine","161214_1",300,20.79,28.47,9.695745487,"INa" +"2531","chlorpromazine","161214_1",300,20.79,31.95,14.08913016,"INa" +"2532","chlorpromazine","161214_1",300,20.79,36.3,19.580861,"INa" +"2533","chlorpromazine","161214_1",300,20.79,35.88,19.05062492,"INa" +"2534","chlorpromazine","161214_1",300,20.79,34.97,17.90178008,"INa" +"2535","chlorpromazine","161214_1",300,20.79,31.31,13.28115137,"INa" +"2536","chlorpromazine","161214_1",300,20.79,29.97,11.58944578,"INa" +"2537","chlorpromazine","161214_1",300,20.79,26.82,7.612675167,"INa" +"2538","chlorpromazine","161214_1",300,20.79,18.53,-2.853175104,"INa" +"2539","chlorpromazine","161214_1",300,20.79,30.02,11.65256912,"INa" +"2540","chlorpromazine","161214_1",300,20.79,29.5,10.99608635,"INa" +"2541","chlorpromazine","161214_1",1000,20.79,24.16,4.254513319,"INa" +"2542","chlorpromazine","161214_1",1000,20.79,40.5,24.88322182,"INa" +"2543","chlorpromazine","161214_1",1000,20.79,26.29,6.943567731,"INa" +"2544","chlorpromazine","161214_1",1000,20.79,32.77,15.12435299,"INa" +"2545","chlorpromazine","161214_1",1000,20.79,50.34,37.30589572,"INa" +"2546","chlorpromazine","161214_1",1000,20.79,47.15,33.27862644,"INa" +"2547","chlorpromazine","161214_1",1000,20.79,64.49,55.16980179,"INa" +"2548","chlorpromazine","161214_1",1000,20.79,36.69,20.07322308,"INa" +"2549","chlorpromazine","161214_1",1000,20.79,45.2,30.81681606,"INa" +"2550","chlorpromazine","161214_1",1000,20.79,43.29,28.40550436,"INa" +"2551","chlorpromazine","161214_1",3000,20.79,84.91,80.94937508,"INa" +"2552","chlorpromazine","161214_1",3000,20.79,95.1,93.81391238,"INa" +"2553","chlorpromazine","161214_1",3000,20.79,97.45,96.78070951,"INa" +"2554","chlorpromazine","161214_1",3000,20.79,95.6,94.44514581,"INa" +"2555","chlorpromazine","161214_1",3000,20.79,98.48,98.08105037,"INa" +"2556","chlorpromazine","161214_1",3000,20.79,103.38,104.267138,"INa" +"2557","chlorpromazine","161214_1",3000,20.79,98.58,98.20729706,"INa" +"2558","chlorpromazine","161214_1",3000,20.79,97.72,97.12157556,"INa" +"2559","chlorpromazine","161214_1",3000,20.79,98.82,98.5102891,"INa" +"2560","chlorpromazine","161214_1",3000,20.79,93,91.16273198,"INa" +"2561","chlorpromazine","161214_1",3000,20.79,98.53,98.14417372,"INa" +"2562","chlorpromazine","161214_1",3000,20.79,98.13,97.63918697,"INa" +"2563","chlorpromazine","161214_1",3000,20.79,97.78,97.19732357,"INa" +"2564","chlorpromazine","161214_1",3000,20.79,93.3,91.54147204,"INa" +"2565","chlorpromazine","161214_2",100,28.965,17.79,-15.73168157,"INa" +"2566","chlorpromazine","161214_2",100,28.965,30.73,2.484690645,"INa" +"2567","chlorpromazine","161214_2",100,28.965,27.09,-2.639543887,"INa" +"2568","chlorpromazine","161214_2",100,28.965,28.09,-1.231787147,"INa" +"2569","chlorpromazine","161214_2",100,28.965,29.84,1.231787147,"INa" +"2570","chlorpromazine","161214_2",100,28.965,30.51,2.174984163,"INa" +"2571","chlorpromazine","161214_2",300,28.965,55.36,37.15773914,"INa" +"2572","chlorpromazine","161214_2",300,28.965,41.33,17.40691209,"INa" +"2573","chlorpromazine","161214_2",300,28.965,37.5,12.01520377,"INa" +"2574","chlorpromazine","161214_2",300,28.965,33.18,5.933694658,"INa" +"2575","chlorpromazine","161214_2",300,28.965,56.49,38.74850426,"INa" +"2576","chlorpromazine","161214_2",300,28.965,20.98,-11.24093757,"INa" +"2577","chlorpromazine","161214_2",300,28.965,18.56,-14.64770888,"INa" +"2578","chlorpromazine","161214_2",300,28.965,42.04,18.40641937,"INa" +"2579","chlorpromazine","161214_2",300,28.965,43.49,20.44766664,"INa" +"2580","chlorpromazine","161214_2",1000,28.965,26.72,-3.16041388,"INa" +"2581","chlorpromazine","161214_2",1000,28.965,65.86,51.93918491,"INa" +"2582","chlorpromazine","161214_2",1000,28.965,77.78,68.71964525,"INa" +"2583","chlorpromazine","161214_2",1000,28.965,70.34,58.2459351,"INa" +"2584","chlorpromazine","161214_2",1000,28.965,75.67,65.74927852,"INa" +"2585","chlorpromazine","161214_2",1000,28.965,50.86,30.82283381,"INa" +"2586","chlorpromazine","161214_2",1000,28.965,75.37,65.3269515,"INa" +"2587","chlorpromazine","161214_2",1000,28.965,47.93,26.69810657,"INa" +"2588","chlorpromazine","161214_2",1000,28.965,65.19,50.99598789,"INa" +"2589","chlorpromazine","161214_2",1000,28.965,71.12,59.34398536,"INa" +"2590","chlorpromazine","161214_2",3000,28.965,99.9,99.85922433,"INa" +"2591","chlorpromazine","161214_2",3000,28.965,109.53,113.4159217,"INa" +"2592","chlorpromazine","161214_2",3000,28.965,96.91,95.65003167,"INa" +"2593","chlorpromazine","161214_2",3000,28.965,100.55,100.7742662,"INa" +"2594","chlorpromazine","161214_2",3000,28.965,103.88,105.4620961,"INa" +"2595","chlorpromazine","161214_2",3000,28.965,99.54,99.3524319,"INa" +"2596","chlorpromazine","161214_2",3000,28.965,108.74,112.3037939,"INa" +"2597","chlorpromazine","161214_2",3000,28.965,92.14,88.93503203,"INa" +"2598","chlorpromazine","161214_2",3000,28.965,93.89,91.39860632,"INa" +"2599","chlorpromazine","161214_2",3000,28.965,97.72,96.79031463,"INa" +"2600","chlorpromazine","Addon_ICaL_Chlorpromazine",100,9.6,15.7676,6.822566372,"ICaL" +"2601","chlorpromazine","Addon_ICaL_Chlorpromazine",100,9.6,8.9573,-0.710951327,"ICaL" +"2602","chlorpromazine","Addon_ICaL_Chlorpromazine",100,9.6,15.1825,6.175331858,"ICaL" +"2603","chlorpromazine","Addon_ICaL_Chlorpromazine",100,9.6,-4.0606,-15.11128319,"ICaL" +"2604","chlorpromazine","Addon_ICaL_Chlorpromazine",100,9.6,5.6232,-4.399115044,"ICaL" +"2605","chlorpromazine","Addon_ICaL_Chlorpromazine",100,9.6,5.4718,-4.56659292,"ICaL" +"2606","chlorpromazine","Addon_ICaL_Chlorpromazine",100,9.6,21.7868,13.48097345,"ICaL" +"2607","chlorpromazine","Addon_ICaL_Chlorpromazine",100,9.6,4.497,-5.644911504,"ICaL" +"2608","chlorpromazine","Addon_ICaL_Chlorpromazine",100,9.6,8.1678,-1.584292035,"ICaL" +"2609","chlorpromazine","Addon_ICaL_Chlorpromazine",100,9.6,2.0124,-8.393362832,"ICaL" +"2610","chlorpromazine","Addon_ICaL_Chlorpromazine",100,9.6,7.9838,-1.787831858,"ICaL" +"2611","chlorpromazine","Addon_ICaL_Chlorpromazine",100,9.6,12.7757,3.512942478,"ICaL" +"2612","chlorpromazine","Addon_ICaL_Chlorpromazine",100,9.6,4.386,-5.767699115,"ICaL" +"2613","chlorpromazine","Addon_ICaL_Chlorpromazine",100,9.6,13.4361,4.243473451,"ICaL" +"2614","chlorpromazine","Addon_ICaL_Chlorpromazine",100,9.6,-6.814,-18.15707965,"ICaL" +"2615","chlorpromazine","Addon_ICaL_Chlorpromazine",100,9.6,4.5509,-5.585287611,"ICaL" +"2616","chlorpromazine","Addon_ICaL_Chlorpromazine",100,9.6,17.6387,8.892367257,"ICaL" +"2617","chlorpromazine","Addon_ICaL_Chlorpromazine",100,9.6,8.0961,-1.663606195,"ICaL" +"2618","chlorpromazine","Addon_ICaL_Chlorpromazine",100,9.6,17.9501,9.236836283,"ICaL" +"2619","chlorpromazine","Addon_ICaL_Chlorpromazine",100,9.6,-1.5873,-12.37533186,"ICaL" +"2620","chlorpromazine","Addon_ICaL_Chlorpromazine",100,9.6,16.5206,7.655530973,"ICaL" +"2621","chlorpromazine","Addon_ICaL_Chlorpromazine",100,9.6,5.6604,-4.357964602,"ICaL" +"2622","chlorpromazine","Addon_ICaL_Chlorpromazine",100,9.6,0,-10.61946903,"ICaL" +"2623","chlorpromazine","Addon_ICaL_Chlorpromazine",100,9.6,-5.467,-16.6670354,"ICaL" +"2624","chlorpromazine","Addon_ICaL_Chlorpromazine",100,9.6,16.0885,7.177544248,"ICaL" +"2625","chlorpromazine","Addon_ICaL_Chlorpromazine",300,9.6,27.1418,19.40464602,"ICaL" +"2626","chlorpromazine","Addon_ICaL_Chlorpromazine",300,9.6,20.5502,12.1130531,"ICaL" +"2627","chlorpromazine","Addon_ICaL_Chlorpromazine",300,9.6,31.2747,23.97643805,"ICaL" +"2628","chlorpromazine","Addon_ICaL_Chlorpromazine",300,9.6,12.9371,3.691482301,"ICaL" +"2629","chlorpromazine","Addon_ICaL_Chlorpromazine",300,9.6,24,15.92920354,"ICaL" +"2630","chlorpromazine","Addon_ICaL_Chlorpromazine",300,9.6,19.9357,11.43329646,"ICaL" +"2631","chlorpromazine","Addon_ICaL_Chlorpromazine",300,9.6,19.0332,10.43495575,"ICaL" +"2632","chlorpromazine","Addon_ICaL_Chlorpromazine",300,9.6,10.1822,0.644026549,"ICaL" +"2633","chlorpromazine","Addon_ICaL_Chlorpromazine",300,9.6,23.8763,15.79236726,"ICaL" +"2634","chlorpromazine","Addon_ICaL_Chlorpromazine",300,9.6,15.3527,6.363606195,"ICaL" +"2635","chlorpromazine","Addon_ICaL_Chlorpromazine",300,9.6,26.7511,18.97245575,"ICaL" +"2636","chlorpromazine","Addon_ICaL_Chlorpromazine",300,9.6,11.578,2.188053097,"ICaL" +"2637","chlorpromazine","Addon_ICaL_Chlorpromazine",300,9.6,24.1228,16.06504425,"ICaL" +"2638","chlorpromazine","Addon_ICaL_Chlorpromazine",300,9.6,20.8582,12.45376106,"ICaL" +"2639","chlorpromazine","Addon_ICaL_Chlorpromazine",300,9.6,19.7674,11.24712389,"ICaL" +"2640","chlorpromazine","Addon_ICaL_Chlorpromazine",300,9.6,9.8884,0.319026549,"ICaL" +"2641","chlorpromazine","Addon_ICaL_Chlorpromazine",300,9.6,15.2785,6.281526549,"ICaL" +"2642","chlorpromazine","Addon_ICaL_Chlorpromazine",1000,9.6,29.2425,21.7284292,"ICaL" +"2643","chlorpromazine","Addon_ICaL_Chlorpromazine",1000,9.6,31.1127,23.79723451,"ICaL" +"2644","chlorpromazine","Addon_ICaL_Chlorpromazine",1000,9.6,16.2066,7.308185841,"ICaL" +"2645","chlorpromazine","Addon_ICaL_Chlorpromazine",1000,9.6,48.3444,42.85884956,"ICaL" +"2646","chlorpromazine","Addon_ICaL_Chlorpromazine",1000,9.6,34.1379,27.14369469,"ICaL" +"2647","chlorpromazine","Addon_ICaL_Chlorpromazine",1000,9.6,18.9585,10.35232301,"ICaL" +"2648","chlorpromazine","Addon_ICaL_Chlorpromazine",1000,9.6,33.3333,26.25365044,"ICaL" +"2649","chlorpromazine","Addon_ICaL_Chlorpromazine",1000,9.6,33.4392,26.37079646,"ICaL" +"2650","chlorpromazine","Addon_ICaL_Chlorpromazine",1000,9.6,39.7115,33.30918142,"ICaL" +"2651","chlorpromazine","Addon_ICaL_Chlorpromazine",1000,9.6,20.5174,12.07676991,"ICaL" +"2652","chlorpromazine","Addon_ICaL_Chlorpromazine",1000,9.6,24.3817,16.35143805,"ICaL" +"2653","chlorpromazine","Addon_ICaL_Chlorpromazine",1000,9.6,34.2756,27.2960177,"ICaL" +"2654","chlorpromazine","Addon_ICaL_Chlorpromazine",1000,9.6,32.1004,24.88982301,"ICaL" +"2655","chlorpromazine","Addon_ICaL_Chlorpromazine",1000,9.6,38.7784,32.27699115,"ICaL" +"2656","chlorpromazine","Addon_ICaL_Chlorpromazine",1000,9.6,23.8938,15.81172566,"ICaL" +"2657","chlorpromazine","Addon_ICaL_Chlorpromazine",1000,9.6,17.6205,8.872234513,"ICaL" +"2658","chlorpromazine","Addon_ICaL_Chlorpromazine",1000,9.6,27.0774,19.33340708,"ICaL" +"2659","chlorpromazine","Addon_ICaL_Chlorpromazine",1000,9.6,38.8025,32.30365044,"ICaL" +"2660","chlorpromazine","Addon_ICaL_Chlorpromazine",1000,9.6,17.9054,9.187389381,"ICaL" +"2661","chlorpromazine","Addon_ICaL_Chlorpromazine",1000,9.6,26.7922,19.01792035,"ICaL" +"2662","chlorpromazine","Addon_ICaL_Chlorpromazine",1000,9.6,45.3319,39.52643805,"ICaL" +"2663","chlorpromazine","Addon_ICaL_Chlorpromazine",1000,9.6,18.5725,9.925331858,"ICaL" +"2664","chlorpromazine","Addon_ICaL_Chlorpromazine",1000,9.6,33.2879,26.2034292,"ICaL" +"2665","chlorpromazine","Addon_ICaL_Chlorpromazine",1000,9.6,24.4259,16.40033186,"ICaL" +"2666","chlorpromazine","Addon_ICaL_Chlorpromazine",1000,9.6,28.385,20.77986726,"ICaL" +"2667","chlorpromazine","Addon_ICaL_Chlorpromazine",1000,9.6,43.4466,37.4409292,"ICaL" +"2668","chlorpromazine","Addon_ICaL_Chlorpromazine",3000,9.6,56.215,51.56526549,"ICaL" +"2669","chlorpromazine","Addon_ICaL_Chlorpromazine",3000,9.6,46.2772,40.57212389,"ICaL" +"2670","chlorpromazine","Addon_ICaL_Chlorpromazine",3000,9.6,38.4,31.85840708,"ICaL" +"2671","chlorpromazine","Addon_ICaL_Chlorpromazine",3000,9.6,54.0779,49.20121681,"ICaL" +"2672","chlorpromazine","Addon_ICaL_Chlorpromazine",3000,9.6,62.1795,58.16316372,"ICaL" +"2673","chlorpromazine","Addon_ICaL_Chlorpromazine",3000,9.6,64,60.17699115,"ICaL" +"2674","chlorpromazine","Addon_ICaL_Chlorpromazine",3000,9.6,44.3119,38.39811947,"ICaL" +"2675","chlorpromazine","Addon_ICaL_Chlorpromazine",3000,9.6,68.3473,64.98595133,"ICaL" +"2676","chlorpromazine","Addon_ICaL_Chlorpromazine",3000,9.6,50.5495,45.29811947,"ICaL" +"2677","chlorpromazine","Addon_ICaL_Chlorpromazine",3000,9.6,70.8951,67.80431416,"ICaL" +"2678","chlorpromazine","Addon_ICaL_Chlorpromazine",3000,9.6,41.8903,35.71935841,"ICaL" +"2679","chlorpromazine","Addon_ICaL_Chlorpromazine",3000,9.6,72.5571,69.64280973,"ICaL" +"2680","chlorpromazine","Addon_ICaL_Chlorpromazine",3000,9.6,57.0157,52.45099558,"ICaL" +"2681","chlorpromazine","Addon_ICaL_Chlorpromazine",3000,9.6,39.7077,33.30497788,"ICaL" +"2682","chlorpromazine","Addon_ICaL_Chlorpromazine",3000,9.6,37.8893,31.29347345,"ICaL" +"2683","chlorpromazine","Addon_ICaL_Chlorpromazine",3000,9.6,69.9041,66.70807522,"ICaL" +"2684","chlorpromazine","Addon_ICaL_Chlorpromazine",3000,9.6,60.5911,56.40608407,"ICaL" +"2685","chlorpromazine","Addon_ICaL_Chlorpromazine",3000,9.6,47.3182,41.72367257,"ICaL" +"2686","chlorpromazine","Addon_ICaL_Chlorpromazine",3000,9.6,47.2405,41.63772124,"ICaL" +"2687","chlorpromazine","Addon_ICaL_Chlorpromazine",3000,9.6,68.798,65.48451327,"ICaL" +"2688","chlorpromazine","Addon_ICaL_Chlorpromazine",3000,9.6,59.1867,54.85254425,"ICaL" +"2689","chlorpromazine","Addon_ICaL_Chlorpromazine",3000,9.6,64.2857,60.49303097,"ICaL" +"2690","chlorpromazine","Addon_ICaL_Chlorpromazine",3000,9.6,44.9407,39.09369469,"ICaL" +"2691","chlorpromazine","Addon_ICaL_Chlorpromazine",3000,9.6,51.2087,46.02732301,"ICaL" +"2692","chlorpromazine","Addon_ICaL_Chlorpromazine",3000,9.6,61.5813,57.50143805,"ICaL" +"2693","chlorpromazine","Addon_ICaL_Chlorpromazine",3000,9.6,60.3971,56.1914823,"ICaL" +"2694","chlorpromazine","Addon_ICaL_Chlorpromazine",3000,9.6,55.3676,50.62787611,"ICaL" +"2695","chlorpromazine","Addon_ICaL_Chlorpromazine",3000,9.6,41.6981,35.50674779,"ICaL" +"2696","clozapine","Addon_ICaL_Clozapine",71,9.6,6.7961,-3.101659292,"ICaL" +"2697","clozapine","Addon_ICaL_Clozapine",71,9.6,9.5594,-0.044911504,"ICaL" +"2698","clozapine","Addon_ICaL_Clozapine",71,9.6,2.4479,-7.911615044,"ICaL" +"2699","clozapine","Addon_ICaL_Clozapine",71,9.6,24.1393,16.08329646,"ICaL" +"2700","clozapine","Addon_ICaL_Clozapine",71,9.6,21.8341,13.53329646,"ICaL" +"2701","clozapine","Addon_ICaL_Clozapine",71,9.6,13.1088,3.881415929,"ICaL" +"2702","clozapine","Addon_ICaL_Clozapine",71,9.6,20.1895,11.71404867,"ICaL" +"2703","clozapine","Addon_ICaL_Clozapine",71,9.6,14.1196,4.999557522,"ICaL" +"2704","clozapine","Addon_ICaL_Clozapine",71,9.6,-3.8741,-14.90497788,"ICaL" +"2705","clozapine","Addon_ICaL_Clozapine",71,9.6,12.701,3.430309735,"ICaL" +"2706","clozapine","Addon_ICaL_Clozapine",71,9.6,14.9564,5.925221239,"ICaL" +"2707","clozapine","Addon_ICaL_Clozapine",71,9.6,15.098,6.081858407,"ICaL" +"2708","clozapine","Addon_ICaL_Clozapine",71,9.6,20.516,12.07522124,"ICaL" +"2709","clozapine","Addon_ICaL_Clozapine",71,9.6,20.8657,12.46205752,"ICaL" +"2710","clozapine","Addon_ICaL_Clozapine",71,9.6,13.7089,4.545243363,"ICaL" +"2711","clozapine","Addon_ICaL_Clozapine",71,9.6,0.7972,-9.737610619,"ICaL" +"2712","clozapine","Addon_ICaL_Clozapine",71,9.6,24.7423,16.75033186,"ICaL" +"2713","clozapine","Addon_ICaL_Clozapine",71,9.6,12.7375,3.470685841,"ICaL" +"2714","clozapine","Addon_ICaL_Clozapine",71,9.6,11.2653,1.842146018,"ICaL" +"2715","clozapine","Addon_ICaL_Clozapine",71,9.6,17.4002,8.628539823,"ICaL" +"2716","clozapine","Addon_ICaL_Clozapine",71,9.6,15.0442,6.022345133,"ICaL" +"2717","clozapine","Addon_ICaL_Clozapine",71,9.6,-2.1959,-13.04856195,"ICaL" +"2718","clozapine","Addon_ICaL_Clozapine",71,9.6,21.8543,13.55564159,"ICaL" +"2719","clozapine","Addon_ICaL_Clozapine",71,9.6,5.5166,-4.517035398,"ICaL" +"2720","clozapine","Addon_ICaL_Clozapine",71,9.6,10.4826,0.976327434,"ICaL" +"2721","clozapine","Addon_ICaL_Clozapine",71,9.6,7.2354,-2.615707965,"ICaL" +"2722","clozapine","Addon_ICaL_Clozapine",71,9.6,23.4115,15.27820796,"ICaL" +"2723","clozapine","Addon_ICaL_Clozapine",710,9.6,4.713,-5.405973451,"ICaL" +"2724","clozapine","Addon_ICaL_Clozapine",710,9.6,21.6677,13.34922566,"ICaL" +"2725","clozapine","Addon_ICaL_Clozapine",710,9.6,10.8763,1.411836283,"ICaL" +"2726","clozapine","Addon_ICaL_Clozapine",710,9.6,34.2213,27.23595133,"ICaL" +"2727","clozapine","Addon_ICaL_Clozapine",710,9.6,17.0427,8.233075221,"ICaL" +"2728","clozapine","Addon_ICaL_Clozapine",710,9.6,10.7623,1.285730088,"ICaL" +"2729","clozapine","Addon_ICaL_Clozapine",710,9.6,8.7217,-0.971570796,"ICaL" +"2730","clozapine","Addon_ICaL_Clozapine",710,9.6,29.8658,22.41792035,"ICaL" +"2731","clozapine","Addon_ICaL_Clozapine",710,9.6,31.8282,24.58871681,"ICaL" +"2732","clozapine","Addon_ICaL_Clozapine",710,9.6,17.382,8.60840708,"ICaL" +"2733","clozapine","Addon_ICaL_Clozapine",710,9.6,4.7473,-5.368030973,"ICaL" +"2734","clozapine","Addon_ICaL_Clozapine",710,9.6,20.0066,11.51172566,"ICaL" +"2735","clozapine","Addon_ICaL_Clozapine",710,9.6,6.9992,-2.87699115,"ICaL" +"2736","clozapine","Addon_ICaL_Clozapine",710,9.6,21.2193,12.85320796,"ICaL" +"2737","clozapine","Addon_ICaL_Clozapine",710,9.6,21.5259,13.19236726,"ICaL" +"2738","clozapine","Addon_ICaL_Clozapine",710,9.6,19.0311,10.43263274,"ICaL" +"2739","clozapine","Addon_ICaL_Clozapine",710,9.6,16.1719,7.269800885,"ICaL" +"2740","clozapine","Addon_ICaL_Clozapine",710,9.6,11.7695,2.399889381,"ICaL" +"2741","clozapine","Addon_ICaL_Clozapine",710,9.6,16.3889,7.509845133,"ICaL" +"2742","clozapine","Addon_ICaL_Clozapine",710,9.6,36.0248,29.23097345,"ICaL" +"2743","clozapine","Addon_ICaL_Clozapine",7100,9.6,69.0021,65.71028761,"ICaL" +"2744","clozapine","Addon_ICaL_Clozapine",7100,9.6,68.1235,64.73838496,"ICaL" +"2745","clozapine","Addon_ICaL_Clozapine",7100,9.6,61.9267,57.8835177,"ICaL" +"2746","clozapine","Addon_ICaL_Clozapine",7100,9.6,43.9178,37.96216814,"ICaL" +"2747","clozapine","Addon_ICaL_Clozapine",7100,9.6,52.5871,47.55210177,"ICaL" +"2748","clozapine","Addon_ICaL_Clozapine",7100,9.6,59.1862,54.85199115,"ICaL" +"2749","clozapine","Addon_ICaL_Clozapine",7100,9.6,49.0741,43.66603982,"ICaL" +"2750","clozapine","Addon_ICaL_Clozapine",7100,9.6,59.096,54.75221239,"ICaL" +"2751","clozapine","Addon_ICaL_Clozapine",7100,9.6,76.1494,73.61659292,"ICaL" +"2752","clozapine","Addon_ICaL_Clozapine",7100,9.6,65.5907,61.93661504,"ICaL" +"2753","clozapine","Addon_ICaL_Clozapine",7100,9.6,67.2798,63.8050885,"ICaL" +"2754","clozapine","Addon_ICaL_Clozapine",7100,9.6,71.0177,67.93993363,"ICaL" +"2755","clozapine","Addon_ICaL_Clozapine",7100,9.6,71.9912,69.01681416,"ICaL" +"2756","clozapine","Addon_ICaL_Clozapine",7100,9.6,72.2727,69.32820796,"ICaL" +"2757","clozapine","Addon_ICaL_Clozapine",7100,9.6,60.4919,56.29634956,"ICaL" +"2758","clozapine","Addon_ICaL_Clozapine",7100,9.6,54.8291,50.03219027,"ICaL" +"2759","clozapine","Addon_ICaL_Clozapine",7100,9.6,60.2919,56.07511062,"ICaL" +"2760","clozapine","Addon_ICaL_Clozapine",7100,9.6,62.3385,58.33904867,"ICaL" +"2761","clozapine","Addon_ICaL_Clozapine",7100,9.6,63.2143,59.30785398,"ICaL" +"2762","clozapine","Addon_ICaL_Clozapine",7100,9.6,75.3286,72.70862832,"ICaL" +"2763","clozapine","Addon_ICaL_Clozapine",7100,9.6,72.9456,70.07256637,"ICaL" +"2764","clozapine","Addon_ICaL_Clozapine",7100,9.6,54.812,50.01327434,"ICaL" +"2765","clozapine","Addon_ICaL_Clozapine",7100,9.6,51.4961,46.34524336,"ICaL" +"2766","clozapine","Addon_ICaL_Clozapine",7100,9.6,57.6819,53.18794248,"ICaL" +"2767","clozapine","Addon_ICaL_Clozapine",7100,9.6,72.2922,69.34977876,"ICaL" +"2768","clozapine","Addon_ICaL_Clozapine",7100,9.6,65.8843,62.26139381,"ICaL" +"2769","clozapine","Addon_ICaL_Clozapine",7100,9.6,51.5151,46.36626106,"ICaL" +"2770","clozapine","Addon_ICaL_Clozapine",7100,9.6,59.1398,54.80066372,"ICaL" +"2771","clozapine","Addon_ICaL_Clozapine",7100,9.6,76.6382,74.15730088,"ICaL" +"2772","clozapine","Addon_ICaL_Clozapine",7100,9.6,70.9782,67.89623894,"ICaL" +"2773","clozapine","Addon_ICaL_Clozapine",7100,9.6,63.6649,59.80630531,"ICaL" +"2774","clozapine","Addon_ICaL_Clozapine",7100,9.6,71.7647,68.76626106,"ICaL" +"2775","clozapine","Addon_ICaL_Clozapine",7100,9.6,66.9694,63.46172566,"ICaL" +"2776","clozapine","Addon_ICaL_Clozapine",7100,9.6,64.9594,61.23827434,"ICaL" +"2777","clozapine","Addon_ICaL_Clozapine",71000,9.6,107.6518,108.4643805,"ICaL" +"2778","clozapine","Addon_ICaL_Clozapine",71000,9.6,93.4889,92.79745575,"ICaL" +"2779","clozapine","Addon_ICaL_Clozapine",71000,9.6,102.6773,102.961615,"ICaL" +"2780","clozapine","Addon_ICaL_Clozapine",71000,9.6,99.4745,99.41869469,"ICaL" +"2781","clozapine","Addon_ICaL_Clozapine",71000,9.6,113.3333,114.7492257,"ICaL" +"2782","clozapine","Addon_ICaL_Clozapine",71000,9.6,100.924,101.0221239,"ICaL" +"2783","clozapine","Addon_ICaL_Clozapine",71000,9.6,95.8277,95.38462389,"ICaL" +"2784","clozapine","Addon_ICaL_Clozapine",71000,9.6,98.4733,98.31117257,"ICaL" +"2785","clozapine","Addon_ICaL_Clozapine",71000,9.6,95.0649,94.54081858,"ICaL" +"2786","clozapine","Addon_ICaL_Clozapine",71000,9.6,107.1247,107.8813053,"ICaL" +"2787","clozapine","Addon_ICaL_Clozapine",71000,9.6,98.5623,98.40962389,"ICaL" +"2788","clozapine","Addon_ICaL_Clozapine",71000,9.6,82.7848,80.95663717,"ICaL" +"2789","clozapine","Addon_ICaL_Clozapine",71000,9.6,89.5425,88.43196903,"ICaL" +"2790","clozapine","Addon_ICaL_Clozapine",71000,9.6,96.4956,96.12345133,"ICaL" +"2791","clozapine","Addon_ICaL_Clozapine",71000,9.6,102.1875,102.4198009,"ICaL" +"2792","clozapine","Addon_ICaL_Clozapine",71000,9.6,92.3146,91.49845133,"ICaL" +"2793","clozapine","Addon_ICaL_Clozapine",71000,9.6,94.6835,94.11891593,"ICaL" +"2794","clozapine","Addon_ICaL_Clozapine",71000,9.6,98.9302,98.81659292,"ICaL" +"2795","clozapine","Addon_ICaL_Clozapine",71000,9.6,97.7001,97.45586283,"ICaL" +"2796","clozapine","Addon_ICaL_Clozapine",71000,9.6,86.3309,84.87931416,"ICaL" +"2797","clozapine","Addon_ICaL_Clozapine",71000,9.6,117.0659,118.878208,"ICaL" +"2798","clozapine","Addon_ICaL_Clozapine",71000,9.6,98.6858,98.54623894,"ICaL" +"2799","clozapine","Addon_ICaL_Clozapine",71000,9.6,95.8663,95.42732301,"ICaL" +"2800","clozapine","Addon_ICaL_Clozapine",71000,9.6,103.4926,103.8634956,"ICaL" +"2801","clozapine","Addon_ICaL_Clozapine",71000,9.6,101.2255,101.3556416,"ICaL" +"2802","clozapine","Addon_ICaL_Clozapine",71000,9.6,90.0101,88.94922566,"ICaL" +"2803","clozapine","Addon_ICaL_Clozapine",71000,9.6,100.5917,100.6545354,"ICaL" +"2804","clozapine","Addon_ICaL_Clozapine",71000,9.6,91.0035,90.04811947,"ICaL" +"2805","clozapine","Addon_ICaL_Clozapine",71000,9.6,96.9103,96.58219027,"ICaL" +"2806","clozapine","Addon_ICaL_Clozapine",71000,9.6,98.7172,98.58097345,"ICaL" +"2807","clozapine","Addon_ICaL_Clozapine",71000,9.6,104.1353,104.5744469,"ICaL" +"2808","chlorpromazine","Addon_n1_INaL",100,9.9,16.96,7.835738069,"INaL" +"2809","chlorpromazine","Addon_n1_INaL",100,9.9,17.47,8.401775805,"INaL" +"2810","chlorpromazine","Addon_n1_INaL",100,9.9,11.75,2.05327414,"INaL" +"2811","chlorpromazine","Addon_n1_INaL",100,9.9,7.67,-2.475027747,"INaL" +"2812","chlorpromazine","Addon_n1_INaL",100,9.9,19.03,10.13318535,"INaL" +"2813","chlorpromazine","Addon_n1_INaL",100,9.9,11.96,2.286348502,"INaL" +"2814","chlorpromazine","Addon_n1_INaL",100,9.9,9.37,-0.588235294,"INaL" +"2815","chlorpromazine","Addon_n1_INaL",100,9.9,12.16,2.508324084,"INaL" +"2816","chlorpromazine","Addon_n1_INaL",100,9.9,5.26,-5.149833518,"INaL" +"2817","chlorpromazine","Addon_n1_INaL",100,9.9,12.57,2.963374029,"INaL" +"2818","clozapine","Addon_n1_INaL",710,9.9,19.44,10.58823529,"INaL" +"2819","clozapine","Addon_n1_INaL",710,9.9,19.82,11.0099889,"INaL" +"2820","clozapine","Addon_n1_INaL",710,9.9,-5.98,-17.62486127,"INaL" +"2821","clozapine","Addon_n1_INaL",710,9.9,3.04,-7.613762486,"INaL" +"2822","clozapine","Addon_n1_INaL",710,9.9,2.47,-8.246392897,"INaL" +"2823","clozapine","Addon_n1_INaL",71,9.9,4.33,-6.182019978,"INaL" +"2824","clozapine","Addon_n1_INaL",71,9.9,20.74,12.03107658,"INaL" +"2825","clozapine","Addon_n1_INaL",71,9.9,10.98,1.198668147,"INaL" +"2826","clozapine","Addon_n1_INaL",71,9.9,9.94,0.044395117,"INaL" +"2827","clozapine","Addon_n1_INaL",71,9.9,-7.55,-19.36736959,"INaL" +"2828","clozapine","Addon_n1_INaL",71,9.9,1.67,-9.134295228,"INaL" +"2829","clozapine","Addon_n1_INaL",71,9.9,11.36,1.620421754,"INaL" +"2830","clozapine","Addon_n1_INaL",71,9.9,10.54,0.710321865,"INaL" +"2831","clozapine","Addon_n1_INaL",71,9.9,-10.98,-23.17425083,"INaL" +"2832","clozapine","Addon_n1_INaL",71,9.9,-20,-33.18534961,"INaL" +"2833","clozapine","Addon_n1_INaL",71,9.9,-7.1,-18.86792453,"INaL" +"2834","clozapine","Addon_n1_INaL",71,9.9,-0.98,-12.0754717,"INaL" +"2835","chlorpromazine","Addon_n1_INaL",300,9.9,49.79,44.27302997,"INaL" +"2836","chlorpromazine","Addon_n1_INaL",300,9.9,35,27.85793563,"INaL" +"2837","chlorpromazine","Addon_n1_INaL",300,9.9,30.83,23.22974473,"INaL" +"2838","chlorpromazine","Addon_n1_INaL",300,9.9,29.34,21.57602664,"INaL" +"2839","chlorpromazine","Addon_n1_INaL",300,9.9,44.39,38.27968923,"INaL" +"2840","chlorpromazine","Addon_n1_INaL",300,9.9,35.14,28.01331853,"INaL" +"2841","chlorpromazine","Addon_n1_INaL",300,9.9,47.97,42.25305216,"INaL" +"2842","chlorpromazine","Addon_n1_INaL",300,9.9,54.17,49.13429523,"INaL" +"2843","chlorpromazine","Addon_n1_INaL",300,9.9,46.73,40.87680355,"INaL" +"2844","chlorpromazine","Addon_n1_INaL",300,9.9,46.5,40.62153163,"INaL" +"2845","chlorpromazine","Addon_n1_INaL",300,9.9,43.28,37.04772475,"INaL" +"2846","chlorpromazine","Addon_n1_INaL",300,9.9,41.83,35.43840178,"INaL" +"2847","chlorpromazine","Addon_n1_INaL",300,9.9,49.88,44.37291898,"INaL" +"2848","chlorpromazine","Addon_n1_INaL",300,9.9,37.08,30.16648169,"INaL" +"2849","chlorpromazine","Addon_n1_INaL",300,9.9,40.66,34.13984462,"INaL" +"2850","clozapine","Addon_n1_INaL",7100,9.9,71.88,68.79023307,"INaL" +"2851","clozapine","Addon_n1_INaL",7100,9.9,66.15,62.43063263,"INaL" +"2852","clozapine","Addon_n1_INaL",7100,9.9,46.35,40.45504994,"INaL" +"2853","clozapine","Addon_n1_INaL",710,9.9,-8.48,-20.39955605,"INaL" +"2854","clozapine","Addon_n1_INaL",710,9.9,-6.75,-18.47946726,"INaL" +"2855","clozapine","Addon_n1_INaL",710,9.9,-17.56,-30.4772475,"INaL" +"2856","clozapine","Addon_n1_INaL",710,9.9,11.77,2.075471698,"INaL" +"2857","clozapine","Addon_n1_INaL",710,9.9,7.65,-2.497225305,"INaL" +"2858","chlorpromazine","Addon_n1_INaL",1000,9.9,78.72,76.381798,"INaL" +"2859","chlorpromazine","Addon_n1_INaL",1000,9.9,85.65,84.07325194,"INaL" +"2860","chlorpromazine","Addon_n1_INaL",1000,9.9,87.33,85.93784684,"INaL" +"2861","chlorpromazine","Addon_n1_INaL",3000,9.9,98.3,98.11320755,"INaL" +"2862","chlorpromazine","Addon_n1_INaL",3000,9.9,96.3,95.89345172,"INaL" +"2863","clozapine","Addon_n1_INaL",710,9.9,7.69,-2.452830189,"INaL" +"2864","clozapine","Addon_n1_INaL",710,9.9,-12.07,-24.38401776,"INaL" +"2865","chlorpromazine","Addon_n1_INaL",3000,9.9,100.21,100.2330744,"INaL" +"2866","chlorpromazine","Addon_n1_INaL",3000,9.9,98.54,98.37957825,"INaL" +"2867","chlorpromazine","Addon_n1_INaL",3000,9.9,94.59,93.99556049,"INaL" +"2868","chlorpromazine","Addon_n1_INaL",3000,9.9,103.85,104.27303,"INaL" +"2869","chlorpromazine","Addon_n1_INaL",3000,9.9,100.4,100.4439512,"INaL" +"2870","chlorpromazine","Addon_n1_INaL",3000,9.9,102.31,102.563818,"INaL" +"2871","chlorpromazine","Addon_n1_INaL",1000,9.9,74.82,72.05327414,"INaL" +"2872","clozapine","Addon_n1_INaL",7100,9.9,63.49,59.47835738,"INaL" +"2873","clozapine","Addon_n1_INaL",7100,9.9,50,44.50610433,"INaL" +"2874","chlorpromazine","Addon_n1_INaL",1000,9.9,78.53,76.1709212,"INaL" +"2875","chlorpromazine","Addon_n1_INaL",1000,9.9,87.43,86.04883463,"INaL" +"2876","chlorpromazine","Addon_n1_INaL",1000,9.9,74.49,71.68701443,"INaL" +"2877","chlorpromazine","Addon_n1_INaL",1000,9.9,85.71,84.13984462,"INaL" +"2878","chlorpromazine","Addon_n1_INaL",1000,9.9,67.61,64.05105438,"INaL" +"2879","chlorpromazine","Addon_n1_INaL",1000,9.9,82.39,80.45504994,"INaL" +"2880","chlorpromazine","Addon_n1_INaL",1000,9.9,78.42,76.04883463,"INaL" +"2881","chlorpromazine","Addon_n1_INaL",1000,9.9,85.83,84.27302997,"INaL" +"2882","chlorpromazine","Addon_n1_INaL",1000,9.9,91.89,90.99889012,"INaL" +"2883","chlorpromazine","Addon_n1_INaL",1000,9.9,72.57,69.55604883,"INaL" +"2884","clozapine","Addon_n1_INaL",71000,9.9,100.44,100.4883463,"INaL" +"2885","chlorpromazine","Addon_n1_INaL",3000,9.9,99.25,99.16759156,"INaL" +"2886","chlorpromazine","Addon_n1_INaL",3000,9.9,97.88,97.64705882,"INaL" +"2887","clozapine","Addon_n1_INaL",7100,9.9,68.75,65.31631521,"INaL" +"2888","clozapine","Addon_n1_INaL",7100,9.9,66.36,62.66370699,"INaL" +"2889","clozapine","Addon_n1_INaL",7100,9.9,47.13,41.32075472,"INaL" +"2890","chlorpromazine","Addon_n1_INaL",3000,9.9,101.18,101.3096559,"INaL" +"2891","chlorpromazine","Addon_n1_INaL",3000,9.9,98.78,98.64594895,"INaL" +"2892","chlorpromazine","Addon_n1_INaL",3000,9.9,99.2,99.11209767,"INaL" +"2893","clozapine","Addon_n1_INaL",7100,9.9,66.19,62.47502775,"INaL" +"2894","clozapine","Addon_n1_INaL",7100,9.9,48.17,42.47502775,"INaL" +"2895","clozapine","Addon_n1_INaL",7100,9.9,59.71,55.28301887,"INaL" +"2896","clozapine","Addon_n1_INaL",7100,9.9,60.65,56.32630411,"INaL" +"2897","clozapine","Addon_n1_INaL",7100,9.9,74.53,71.73140954,"INaL" +"2898","clozapine","Addon_n1_INaL",71000,9.9,106.85,107.6026637,"INaL" +"2899","clozapine","Addon_n1_INaL",71000,9.9,100,100,"INaL" +"2900","chlorpromazine","Addon_n1_INaL",3000,9.9,97.67,97.41398446,"INaL" +"2901","chlorpromazine","Addon_n1_INaL",3000,9.9,100,100,"INaL" +"2902","chlorpromazine","Addon_n1_INaL",3000,9.9,100,100,"INaL" +"2903","chlorpromazine","Addon_n1_INaL",3000,9.9,93.77,93.0854606,"INaL" +"2904","chlorpromazine","Addon_n1_INaL",3000,9.9,101.05,101.1653718,"INaL" +"2905","clozapine","Addon_n1_INaL",71000,9.9,105.59,106.2042175,"INaL" +"2906","chlorpromazine","Addon_n1_INaL",3000,9.9,103.57,103.9622642,"INaL" +"2907","chlorpromazine","Addon_n1_INaL",3000,9.9,98.18,97.9800222,"INaL" +"2908","clozapine","Addon_n1_INaL",71000,9.9,101,101.1098779,"INaL" +"2909","clozapine","Addon_n1_INaL",71000,9.9,108.91,109.8890122,"INaL" +"2910","clozapine","Addon_n1_INaL",71000,9.9,99.33,99.2563818,"INaL" +"2911","clozapine","Addon_n1_INaL",7100,9.9,81.82,79.82241953,"INaL" +"2912","clozapine","Addon_n1_INaL",7100,9.9,75.68,73.00776915,"INaL" +"2913","clozapine","Addon_n1_INaL",71000,9.9,106.4,107.1032186,"INaL" +"2914","clozapine","Addon_n1_INaL",71000,9.9,99.49,99.43396226,"INaL" +"2915","clozapine","Addon_n1_INaL",71000,9.9,99.67,99.63374029,"INaL" +"2916","clozapine","Addon_n1_INaL",71000,9.9,100,100,"INaL" +"2917","clozapine","Addon_n1_INaL",71000,9.9,100.69,100.7658158,"INaL" +"2918","clozapine","Addon_n1_INaL",7100,9.9,67.92,64.39511654,"INaL" +"2919","clozapine","Addon_n1_INaL",71000,9.9,102.45,102.7192009,"INaL" +"2920","clozapine","Addon_n1_INaL",7100,9.9,72.41,69.37846837,"INaL" +"2921","clozapine","Addon_n1_INaL",7100,9.9,57.89,53.26304107,"INaL" +"2922","clozapine","Addon_n1_INaL",71000,9.9,97.45,97.16981132,"INaL" +"2923","clozapine","Addon_n1_INaL",71000,9.9,99.37,99.30077691,"INaL" +"2924","clozapine","Addon_n1_INaL",71000,9.9,104.89,105.427303,"INaL" +"2925","clozapine","Addon_n1_INaL",71000,9.9,97.18,96.87014428,"INaL" +"2926","clozapine","Addon_n1_INaL",7100,9.9,70.08,66.79245283,"INaL" +"2927","chlorpromazine","Addon_n2_INaL",100,23.4,24.43,1.34464752,"INaL" +"2928","chlorpromazine","Addon_n2_INaL",100,23.4,35.49,15.78328982,"INaL" +"2929","chlorpromazine","Addon_n2_INaL",100,23.4,36.05,16.51436031,"INaL" +"2930","chlorpromazine","Addon_n2_INaL",300,23.4,63.63,52.51958225,"INaL" +"2931","chlorpromazine","Addon_n2_INaL",300,23.4,61.76,50.07832898,"INaL" +"2932","chlorpromazine","Addon_n2_INaL",300,23.4,48.04,32.16710183,"INaL" +"2933","chlorpromazine","Addon_n2_INaL",300,23.4,48.53,32.80678851,"INaL" +"2934","chlorpromazine","Addon_n2_INaL",300,23.4,60.83,48.86422977,"INaL" +"2935","chlorpromazine","Addon_n2_INaL",100,23.4,40.7,22.5848564,"INaL" +"2936","chlorpromazine","Addon_n2_INaL",1000,23.4,73.2,65.01305483,"INaL" +"2937","chlorpromazine","Addon_n2_INaL",1000,23.4,81.7,76.10966057,"INaL" +"2938","chlorpromazine","Addon_n2_INaL",1000,23.4,77.16,70.18276762,"INaL" +"2939","chlorpromazine","Addon_n2_INaL",300,23.4,52.12,37.49347258,"INaL" +"2940","chlorpromazine","Addon_n2_INaL",100,23.4,14.07,-12.18015666,"INaL" +"2941","chlorpromazine","Addon_n2_INaL",3000,23.4,109.87,112.8851175,"INaL" +"2942","chlorpromazine","Addon_n2_INaL",3000,23.4,99.06,98.77284595,"INaL" +"2943","chlorpromazine","Addon_n2_INaL",3000,23.4,99.17,98.91644909,"INaL" +"2944","chlorpromazine","Addon_n2_INaL",3000,23.4,95.8,94.51697128,"INaL" +"2945","chlorpromazine","Addon_n2_INaL",3000,23.4,98.21,97.66318538,"INaL" +"2946","chlorpromazine","Addon_n2_INaL",3000,23.4,95.31,93.8772846,"INaL" +"2947","chlorpromazine","Addon_n2_INaL",300,23.4,29.61,8.107049608,"INaL" +"2948","chlorpromazine","Addon_n2_INaL",300,23.4,52.81,38.39425587,"INaL" +"2949","chlorpromazine","Addon_n2_INaL",300,23.4,67.77,57.92428198,"INaL" +"2950","chlorpromazine","Addon_n2_INaL",3000,23.4,98.75,98.36814621,"INaL" +"2951","chlorpromazine","Addon_n2_INaL",3000,23.4,100,100,"INaL" +"2952","chlorpromazine","Addon_n2_INaL",1000,23.4,90.39,87.45430809,"INaL" +"2953","chlorpromazine","Addon_n2_INaL",3000,23.4,100.46,100.6005222,"INaL" +"2954","chlorpromazine","Addon_n2_INaL",3000,23.4,96.29,95.15665796,"INaL" +"2955","chlorpromazine","Addon_n2_INaL",3000,23.4,96.26,95.11749347,"INaL" +"2956","chlorpromazine","Addon_n2_INaL",3000,23.4,94.87,93.30287206,"INaL" +"2957","chlorpromazine","Addon_n2_INaL",100,23.4,30.91,9.804177546,"INaL" +"2958","chlorpromazine","Addon_n2_INaL",100,23.4,43.98,26.86684073,"INaL" +"2959","chlorpromazine","Addon_n2_INaL",100,23.4,20.54,-3.733681462,"INaL" +"2960","chlorpromazine","Addon_n2_INaL",3000,23.4,99.32,99.11227154,"INaL" +"2961","chlorpromazine","Addon_n2_INaL",3000,23.4,97.22,96.37075718,"INaL" +"2962","chlorpromazine","Addon_n2_INaL",3000,23.4,98.91,98.5770235,"INaL" +"2963","chlorpromazine","Addon_n2_INaL",100,23.4,47.18,31.04438642,"INaL" +"2964","chlorpromazine","Addon_n2_INaL",100,23.4,34.2,14.09921671,"INaL" +"2965","chlorpromazine","Addon_n2_INaL",3000,23.4,96.05,94.84334204,"INaL" +"2966","clozapine","Addon_n2_INaL",71,23.4,20.1,-4.308093995,"INaL" +"2967","clozapine","Addon_n2_INaL",71,23.4,22.99,-0.535248042,"INaL" +"2968","clozapine","Addon_n2_INaL",71,23.4,34.83,14.92167102,"INaL" +"2969","clozapine","Addon_n2_INaL",71,23.4,17.27,-8.002610966,"INaL" +"2970","clozapine","Addon_n2_INaL",71,23.4,0,-30.54830287,"INaL" +"2971","clozapine","Addon_n2_INaL",71,23.4,17.44,-7.780678851,"INaL" +"2972","clozapine","Addon_n2_INaL",71,23.4,36.03,16.48825065,"INaL" +"2973","chlorpromazine","Addon_n2_INaL",100,23.4,24.32,1.201044386,"INaL" +"2974","chlorpromazine","Addon_n2_INaL",100,23.4,41.87,24.11227154,"INaL" +"2975","chlorpromazine","Addon_n2_INaL",100,23.4,15.74,-10,"INaL" +"2976","chlorpromazine","Addon_n2_INaL",300,23.4,56.4,43.08093995,"INaL" +"2977","chlorpromazine","Addon_n2_INaL",300,23.4,47.83,31.89295039,"INaL" +"2978","chlorpromazine","Addon_n2_INaL",300,23.4,43.9,26.76240209,"INaL" +"2979","chlorpromazine","Addon_n2_INaL",300,23.4,57.71,44.79112272,"INaL" +"2980","chlorpromazine","Addon_n2_INaL",300,23.4,54.22,40.23498695,"INaL" +"2981","chlorpromazine","Addon_n2_INaL",300,23.4,57.98,45.14360313,"INaL" +"2982","chlorpromazine","Addon_n2_INaL",300,23.4,42.51,24.94778068,"INaL" +"2983","chlorpromazine","Addon_n2_INaL",300,23.4,51.72,36.97127937,"INaL" +"2984","chlorpromazine","Addon_n2_INaL",300,23.4,38.68,19.94778068,"INaL" +"2985","chlorpromazine","Addon_n2_INaL",300,23.4,53.5,39.29503916,"INaL" +"2986","clozapine","Addon_n2_INaL",71,23.4,35.81,16.20104439,"INaL" +"2987","chlorpromazine","Addon_n2_INaL",300,23.4,55.68,42.14099217,"INaL" +"2988","chlorpromazine","Addon_n2_INaL",300,23.4,39.68,21.25326371,"INaL" +"2989","clozapine","Addon_n2_INaL",710,23.4,28.56,6.736292428,"INaL" +"2990","clozapine","Addon_n2_INaL",710,23.4,32.78,12.24543081,"INaL" +"2991","clozapine","Addon_n2_INaL",710,23.4,25.16,2.297650131,"INaL" +"2992","chlorpromazine","Addon_n2_INaL",100,23.4,29.52,7.989556136,"INaL" +"2993","chlorpromazine","Addon_n2_INaL",100,23.4,42.69,25.18276762,"INaL" +"2994","chlorpromazine","Addon_n2_INaL",100,23.4,16.67,-8.785900783,"INaL" +"2995","chlorpromazine","Addon_n2_INaL",100,23.4,25.69,2.989556136,"INaL" +"2996","clozapine","Addon_n2_INaL",71,23.4,23.8,0.522193211,"INaL" +"2997","clozapine","Addon_n2_INaL",71,23.4,16.85,-8.550913838,"INaL" +"2998","clozapine","Addon_n2_INaL",71,23.4,3.79,-25.60052219,"INaL" +"2999","clozapine","Addon_n2_INaL",710,23.4,32.05,11.2924282,"INaL" +"3000","clozapine","Addon_n2_INaL",710,23.4,35.96,16.39686684,"INaL" +"3001","clozapine","Addon_n2_INaL",710,23.4,33.61,13.32898172,"INaL" +"3002","clozapine","Addon_n2_INaL",71,23.4,5.56,-23.28981723,"INaL" +"3003","clozapine","Addon_n2_INaL",71,23.4,17.39,-7.845953003,"INaL" +"3004","clozapine","Addon_n2_INaL",71,23.4,18,-7.049608355,"INaL" +"3005","clozapine","Addon_n2_INaL",71,23.4,4.35,-24.8694517,"INaL" +"3006","chlorpromazine","Addon_n2_INaL",1000,23.4,83.87,78.94255875,"INaL" +"3007","chlorpromazine","Addon_n2_INaL",1000,23.4,86.29,82.10182768,"INaL" +"3008","chlorpromazine","Addon_n2_INaL",1000,23.4,80.59,74.66057441,"INaL" +"3009","chlorpromazine","Addon_n2_INaL",1000,23.4,85.29,80.79634465,"INaL" +"3010","chlorpromazine","Addon_n2_INaL",1000,23.4,77.96,71.22715405,"INaL" +"3011","chlorpromazine","Addon_n2_INaL",1000,23.4,83.86,78.92950392,"INaL" +"3012","chlorpromazine","Addon_n2_INaL",1000,23.4,89.97,86.90600522,"INaL" +"3013","chlorpromazine","Addon_n2_INaL",1000,23.4,86.79,82.75456919,"INaL" +"3014","chlorpromazine","Addon_n2_INaL",1000,23.4,84.29,79.49086162,"INaL" +"3015","chlorpromazine","Addon_n2_INaL",1000,23.4,85.81,81.47519582,"INaL" +"3016","chlorpromazine","Addon_n2_INaL",1000,23.4,82.86,77.62402089,"INaL" +"3017","chlorpromazine","Addon_n2_INaL",1000,23.4,85.02,80.44386423,"INaL" +"3018","clozapine","Addon_n2_INaL",7100,23.4,71.93,63.35509138,"INaL" +"3019","clozapine","Addon_n2_INaL",7100,23.4,76.51,69.33420366,"INaL" +"3020","clozapine","Addon_n2_INaL",7100,23.4,64.45,53.59007833,"INaL" +"3021","clozapine","Addon_n2_INaL",7100,23.4,87.68,83.91644909,"INaL" +"3022","clozapine","Addon_n2_INaL",7100,23.4,54.92,41.14882507,"INaL" +"3023","clozapine","Addon_n2_INaL",7100,23.4,69.71,60.45691906,"INaL" +"3024","clozapine","Addon_n2_INaL",7100,23.4,55.69,42.154047,"INaL" +"3025","clozapine","Addon_n2_INaL",7100,23.4,64.68,53.89033943,"INaL" +"3026","clozapine","Addon_n2_INaL",7100,23.4,72.71,64.37336815,"INaL" +"3027","clozapine","Addon_n2_INaL",7100,23.4,70.03,60.87467363,"INaL" +"3028","clozapine","Addon_n2_INaL",7100,23.4,56.08,42.66318538,"INaL" +"3029","clozapine","Addon_n2_INaL",7100,23.4,64.49,53.64229765,"INaL" +"3030","clozapine","Addon_n2_INaL",7100,23.4,63.44,52.27154047,"INaL" +"3031","clozapine","Addon_n2_INaL",7100,23.4,65.51,54.97389034,"INaL" +"3032","clozapine","Addon_n2_INaL",710,23.4,20.63,-3.61618799,"INaL" +"3033","clozapine","Addon_n2_INaL",710,23.4,35.62,15.95300261,"INaL" +"3034","clozapine","Addon_n2_INaL",710,23.4,9.62,-17.98955614,"INaL" +"3035","clozapine","Addon_n2_INaL",710,23.4,12.94,-13.65535248,"INaL" +"3036","clozapine","Addon_n2_INaL",710,23.4,8.52,-19.42558747,"INaL" +"3037","clozapine","Addon_n2_INaL",710,23.4,21.62,-2.323759791,"INaL" +"3038","clozapine","Addon_n2_INaL",710,23.4,29.11,7.454308094,"INaL" +"3039","clozapine","Addon_n2_INaL",71,23.4,-1.06,-31.93211488,"INaL" +"3040","clozapine","Addon_n2_INaL",71,23.4,27.74,5.665796345,"INaL" +"3041","clozapine","Addon_n2_INaL",71,23.4,4.51,-24.66057441,"INaL" +"3042","chlorpromazine","Addon_n2_INaL",3000,23.4,98.89,98.55091384,"INaL" +"3043","chlorpromazine","Addon_n2_INaL",3000,23.4,104.31,105.6266319,"INaL" +"3044","chlorpromazine","Addon_n2_INaL",3000,23.4,100.31,100.4046997,"INaL" +"3045","chlorpromazine","Addon_n2_INaL",3000,23.4,99.25,99.02088773,"INaL" +"3046","chlorpromazine","Addon_n2_INaL",3000,23.4,101.54,102.0104439,"INaL" +"3047","chlorpromazine","Addon_n2_INaL",3000,23.4,100.82,101.0704961,"INaL" +"3048","chlorpromazine","Addon_n2_INaL",3000,23.4,101.44,101.8798956,"INaL" +"3049","clozapine","Addon_n2_INaL",71000,23.4,102.61,103.4073107,"INaL" +"3050","clozapine","Addon_n2_INaL",71000,23.4,100,100,"INaL" +"3051","clozapine","Addon_n2_INaL",71000,23.4,99.78,99.71279373,"INaL" +"3052","clozapine","Addon_n2_INaL",71000,23.4,98.66,98.25065274,"INaL" +"3053","clozapine","Addon_n2_INaL",71000,23.4,98.68,98.2767624,"INaL" +"3054","clozapine","Addon_n2_INaL",71000,23.4,99.71,99.62140992,"INaL" +"3055","clozapine","Addon_n2_INaL",71000,23.4,97.3,96.47519582,"INaL" +"3056","clozapine","Addon_n2_INaL",71000,23.4,99.85,99.80417755,"INaL" +"3057","clozapine","Addon_n2_INaL",71000,23.4,100.65,100.848564,"INaL" +"3058","clozapine","Addon_n2_INaL",71000,23.4,100,100,"INaL" +"3059","clozapine","Addon_n2_INaL",71000,23.4,110.98,114.3342037,"INaL" +"3060","clozapine","Addon_n2_INaL",71000,23.4,109.73,112.7023499,"INaL" +"3061","clozapine","Addon_n2_INaL",71000,23.4,98.25,97.7154047,"INaL" +"3062","clozapine","Addon_n2_INaL",71000,23.4,103.87,105.0522193,"INaL" +"3063","clozapine","Addon_n2_INaL",71000,23.4,102.4,103.1331593,"INaL" +"3064","clozapine","Addon_n2_INaL",71000,23.4,100,100,"INaL" +"3065","clozapine","Addon_n2_INaL",71000,23.4,94.04,92.21932115,"INaL" +"3066","clozapine","Addon_n2_INaL",71000,23.4,98.06,97.46736292,"INaL" +"3067","clozapine","Addon_n2_INaL",71000,23.4,100.16,100.2088773,"INaL" +"3068","clozapine","Addon_n2_INaL",71000,23.4,99.58,99.45169713,"INaL" +"3069","clozapine","Addon_n2_INaL",71000,23.4,101.67,102.1801567,"INaL" +"3070","clozapine","Addon_n2_INaL",71000,23.4,98.74,98.35509138,"INaL" +"3071","clozapine","Addon_n2_INaL",71000,23.4,97.08,96.18798956,"INaL" +"3072","clozapine","Addon_n2_INaL",71000,23.4,100.38,100.4960836,"INaL" +"3073","clozapine","Addon_n2_INaL",71000,23.4,102.53,103.3028721,"INaL" +"3074","ondansetron","HQ_phase_1_ICaL",300,8.79,19.83,12.10393597,"ICaL" +"3075","ondansetron","HQ_phase_1_ICaL",300,8.79,7.06,-1.896721851,"ICaL" +"3076","ondansetron","HQ_phase_1_ICaL",300,8.79,-9.16,-19.67985966,"ICaL" +"3077","ondansetron","HQ_phase_1_ICaL",300,8.79,6.05,-3.004056573,"ICaL" +"3078","ondansetron","HQ_phase_1_ICaL",300,8.79,-2.44,-12.31224646,"ICaL" +"3079","ondansetron","HQ_phase_1_ICaL",300,8.79,-8.65,-19.12071045,"ICaL" +"3080","ondansetron","HQ_phase_1_ICaL",300,8.79,-5.18,-15.31630304,"ICaL" +"3081","ondansetron","HQ_phase_1_ICaL",300,8.79,8.41,-0.416620985,"ICaL" +"3082","ondansetron","HQ_phase_1_ICaL",300,8.79,20.49,12.82754084,"ICaL" +"3083","ondansetron","HQ_phase_1_ICaL",300,8.79,-8.71,-19.18649271,"ICaL" +"3084","ondansetron","HQ_phase_1_ICaL",300,8.79,-4.98,-15.09702883,"ICaL" +"3085","ondansetron","HQ_phase_1_ICaL",300,8.79,8.68,-0.120600811,"ICaL" +"3086","ondansetron","HQ_phase_1_ICaL",300,8.79,13.56,5.229689727,"ICaL" +"3087","ondansetron","HQ_phase_1_ICaL",300,8.79,10.86,2.269487995,"ICaL" +"3088","ondansetron","HQ_phase_1_ICaL",300,8.79,7.37,-1.556846837,"ICaL" +"3089","ondansetron","HQ_phase_1_ICaL",300,8.79,4.65,-4.538975989,"ICaL" +"3090","ondansetron","HQ_phase_1_ICaL",300,8.79,11.12,2.554544458,"ICaL" +"3091","ondansetron","HQ_phase_1_ICaL",300,8.79,11.96,3.475496108,"ICaL" +"3092","ondansetron","HQ_phase_1_ICaL",300,8.79,5.96,-3.102729964,"ICaL" +"3093","ondansetron","HQ_phase_1_ICaL",300,8.79,14.8,6.589189782,"ICaL" +"3094","ondansetron","HQ_phase_1_ICaL",300,8.79,12.93,4.538975989,"ICaL" +"3095","ondansetron","HQ_phase_1_ICaL",300,8.79,14.79,6.578226072,"ICaL" +"3096","ondansetron","HQ_phase_1_ICaL",1000,8.79,-7.48,-17.83795636,"ICaL" +"3097","ondansetron","HQ_phase_1_ICaL",1000,8.79,-4.26,-14.30764171,"ICaL" +"3098","ondansetron","HQ_phase_1_ICaL",1000,8.79,6.98,-1.984431532,"ICaL" +"3099","ondansetron","HQ_phase_1_ICaL",1000,8.79,9.67,0.964806491,"ICaL" +"3100","ondansetron","HQ_phase_1_ICaL",1000,8.79,0.69,-8.880605197,"ICaL" +"3101","ondansetron","HQ_phase_1_ICaL",1000,8.79,-5.85,-16.05087161,"ICaL" +"3102","ondansetron","HQ_phase_1_ICaL",1000,8.79,3.72,-5.558601031,"ICaL" +"3103","ondansetron","HQ_phase_1_ICaL",1000,8.79,-5.09,-15.21762965,"ICaL" +"3104","ondansetron","HQ_phase_1_ICaL",1000,8.79,4.59,-4.60475825,"ICaL" +"3105","ondansetron","HQ_phase_1_ICaL",1000,8.79,-4.8,-14.89968205,"ICaL" +"3106","ondansetron","HQ_phase_1_ICaL",1000,8.79,6.36,-2.664181559,"ICaL" +"3107","ondansetron","HQ_phase_1_ICaL",1000,8.79,6.51,-2.499725907,"ICaL" +"3108","ondansetron","HQ_phase_1_ICaL",1000,8.79,3.31,-6.008113145,"ICaL" +"3109","ondansetron","HQ_phase_1_ICaL",1000,8.79,5.9,-3.168512225,"ICaL" +"3110","ondansetron","HQ_phase_1_ICaL",1000,8.79,9.34,0.603004057,"ICaL" +"3111","ondansetron","HQ_phase_1_ICaL",1000,8.79,16.16,8.080254358,"ICaL" +"3112","ondansetron","HQ_phase_1_ICaL",1000,8.79,3.28,-6.041004276,"ICaL" +"3113","ondansetron","HQ_phase_1_ICaL",1000,8.79,11.96,3.475496108,"ICaL" +"3114","ondansetron","HQ_phase_1_ICaL",1000,8.79,1.24,-8.27760114,"ICaL" +"3115","ondansetron","HQ_phase_1_ICaL",1000,8.79,8.18,-0.668786317,"ICaL" +"3116","ondansetron","HQ_phase_1_ICaL",3000,8.79,3.53,-5.766911523,"ICaL" +"3117","ondansetron","HQ_phase_1_ICaL",3000,8.79,12.83,4.429338888,"ICaL" +"3118","ondansetron","HQ_phase_1_ICaL",3000,8.79,-7.64,-18.01337573,"ICaL" +"3119","ondansetron","HQ_phase_1_ICaL",3000,8.79,-8.59,-19.05492819,"ICaL" +"3120","ondansetron","HQ_phase_1_ICaL",3000,8.79,16.33,8.26663743,"ICaL" +"3121","ondansetron","HQ_phase_1_ICaL",3000,8.79,1.17,-8.354347111,"ICaL" +"3122","ondansetron","HQ_phase_1_ICaL",3000,8.79,12.84,4.440302598,"ICaL" +"3123","ondansetron","HQ_phase_1_ICaL",3000,8.79,7.14,-1.80901217,"ICaL" +"3124","ondansetron","HQ_phase_1_ICaL",3000,8.79,17.64,9.702883456,"ICaL" +"3125","ondansetron","HQ_phase_1_ICaL",3000,8.79,15.74,7.619778533,"ICaL" +"3126","ondansetron","HQ_phase_1_ICaL",3000,8.79,8.69,-0.109637101,"ICaL" +"3127","ondansetron","HQ_phase_1_ICaL",3000,8.79,1.08,-8.453020502,"ICaL" +"3128","ondansetron","HQ_phase_1_ICaL",3000,8.79,16.76,8.738076965,"ICaL" +"3129","ondansetron","HQ_phase_1_ICaL",3000,8.79,16.48,8.431093082,"ICaL" +"3130","ondansetron","HQ_phase_1_ICaL",3000,8.79,12.71,4.297774367,"ICaL" +"3131","ondansetron","HQ_phase_1_ICaL",10000,8.79,10.26,1.611665388,"ICaL" +"3132","ondansetron","HQ_phase_1_ICaL",10000,8.79,15.14,6.961955926,"ICaL" +"3133","ondansetron","HQ_phase_1_ICaL",10000,8.79,9.76,1.063479882,"ICaL" +"3134","ondansetron","HQ_phase_1_ICaL",10000,8.79,10.8,2.203705734,"ICaL" +"3135","ondansetron","HQ_phase_1_ICaL",10000,8.79,4.62,-4.57186712,"ICaL" +"3136","ondansetron","HQ_phase_1_ICaL",10000,8.79,13.39,5.043306655,"ICaL" +"3137","ondansetron","HQ_phase_1_ICaL",10000,8.79,11.09,2.521653327,"ICaL" +"3138","ondansetron","HQ_phase_1_ICaL",10000,8.79,9.27,0.526258086,"ICaL" +"3139","ondansetron","HQ_phase_1_ICaL",10000,8.79,11.68,3.168512225,"ICaL" +"3140","ondansetron","HQ_phase_1_ICaL",10000,8.79,5,-4.155246135,"ICaL" +"3141","ondansetron","HQ_phase_1_ICaL",10000,8.79,13.16,4.791141322,"ICaL" +"3142","ondansetron","HQ_phase_1_ICaL",10000,8.79,16.13,8.047363228,"ICaL" +"3143","ondansetron","HQ_phase_1_ICaL",10000,8.79,16.78,8.760004385,"ICaL" +"3144","ondansetron","HQ_phase_1_ICaL",10000,8.79,16.39,8.332419691,"ICaL" +"3145","ondansetron","HQ_phase_1_ICaL",10000,8.79,13.59,5.262580857,"ICaL" +"3146","ondansetron","HQ_phase_1_ICaL",10000,8.79,10.87,2.280451705,"ICaL" +"3147","ondansetron","HQ_phase_1_ICaL",10000,8.79,10.71,2.105032343,"ICaL" +"3148","ondansetron","HQ_phase_1_ICaL",10000,8.79,-1.12,-10.86503673,"ICaL" +"3149","ondansetron","HQ_phase_1_ICaL",10000,8.79,14.05,5.766911523,"ICaL" +"3150","ondansetron","HQ_phase_1_ICaL",10000,8.79,16.51,8.463984212,"ICaL" +"3151","ondansetron","HQ_phase_1_ICaL",10000,8.79,7.97,-0.89902423,"ICaL" +"3152","ondansetron","HQ_phase_1_ICaL",10000,8.79,12.88,4.484157439,"ICaL" +"3153","ondansetron","HQ_phase_1_ICaL",10000,8.79,1.96,-7.488214012,"ICaL" +"3154","ondansetron","HQ_phase_1_ICaL",10000,8.79,13.39,5.043306655,"ICaL" +"3155","quinidine","HQ_phase_1_ICaL",100,8.79,13.93,5.635347001,"ICaL" +"3156","quinidine","HQ_phase_1_ICaL",100,8.79,-2.86,-12.77272229,"ICaL" +"3157","quinidine","HQ_phase_1_ICaL",100,8.79,-15.57,-26.70759785,"ICaL" +"3158","quinidine","HQ_phase_1_ICaL",100,8.79,-13.99,-24.97533165,"ICaL" +"3159","quinidine","HQ_phase_1_ICaL",100,8.79,-8.9,-19.3948032,"ICaL" +"3160","quinidine","HQ_phase_1_ICaL",100,8.79,5.06,-4.089463875,"ICaL" +"3161","quinidine","HQ_phase_1_ICaL",100,8.79,-8.38,-18.82469028,"ICaL" +"3162","quinidine","HQ_phase_1_ICaL",100,8.79,-0.26,-9.922157658,"ICaL" +"3163","quinidine","HQ_phase_1_ICaL",100,8.79,-4.82,-14.92160947,"ICaL" +"3164","quinidine","HQ_phase_1_ICaL",100,8.79,-20.28,-31.87150532,"ICaL" +"3165","quinidine","HQ_phase_1_ICaL",100,8.79,-1.19,-10.9417827,"ICaL" +"3166","quinidine","HQ_phase_1_ICaL",100,8.79,-17.18,-28.47275518,"ICaL" +"3167","quinidine","HQ_phase_1_ICaL",100,8.79,-14.29,-25.30424296,"ICaL" +"3168","quinidine","HQ_phase_1_ICaL",100,8.79,-11.81,-22.58524285,"ICaL" +"3169","quinidine","HQ_phase_1_ICaL",300,8.79,-14.07,-25.06304133,"ICaL" +"3170","quinidine","HQ_phase_1_ICaL",300,8.79,11.84,3.343931586,"ICaL" +"3171","quinidine","HQ_phase_1_ICaL",300,8.79,2.55,-6.841355115,"ICaL" +"3172","quinidine","HQ_phase_1_ICaL",300,8.79,-6.67,-16.94989584,"ICaL" +"3173","quinidine","HQ_phase_1_ICaL",300,8.79,-12.01,-22.80451705,"ICaL" +"3174","quinidine","HQ_phase_1_ICaL",300,8.79,-2.93,-12.84946826,"ICaL" +"3175","quinidine","HQ_phase_1_ICaL",300,8.79,2.05,-7.389540621,"ICaL" 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+"3857","diltiazem","phase1_INaL_n2",1e+05,0,93.61,93.61,"INaL" +"3858","cisapride","phase1_INaL_n2",1,0,-0.72,-0.72,"INaL" +"3859","cisapride","phase1_INaL_n2",1,0,-4.63,-4.63,"INaL" +"3860","cisapride","phase1_INaL_n2",10,0,-21.29,-21.29,"INaL" +"3861","cisapride","phase1_INaL_n2",100,0,-3.28,-3.28,"INaL" +"3862","cisapride","phase1_INaL_n2",1,0,-23.53,-23.53,"INaL" +"3863","cisapride","phase1_INaL_n2",10,0,-17.39,-17.39,"INaL" +"3864","cisapride","phase1_INaL_n2",1,0,-5.1,-5.1,"INaL" +"3865","cisapride","phase1_INaL_n2",1,0,-32.77,-32.77,"INaL" +"3866","cisapride","phase1_INaL_n2",1,0,12.16,12.16,"INaL" +"3867","cisapride","phase1_INaL_n2",1,0,0,0,"INaL" +"3868","cisapride","phase1_INaL_n2",1,0,9.84,9.84,"INaL" +"3869","cisapride","phase1_INaL_n2",1,0,-16.96,-16.96,"INaL" +"3870","cisapride","phase1_INaL_n2",100,0,-10.76,-10.76,"INaL" +"3871","cisapride","phase1_INaL_n2",300,0,-1.72,-1.72,"INaL" +"3872","cisapride","phase1_INaL_n2",300,0,13.74,13.74,"INaL" +"3873","cisapride","phase1_INaL_n2",300,0,-28.37,-28.37,"INaL" +"3874","cisapride","phase1_INaL_n2",300,0,-30,-30,"INaL" +"3875","cisapride","phase1_INaL_n2",300,0,-17.65,-17.65,"INaL" +"3876","cisapride","phase1_INaL_n2",300,0,12,12,"INaL" +"3877","cisapride","phase1_INaL_n2",100,0,-21.26,-21.26,"INaL" +"3878","cisapride","phase1_INaL_n2",100,0,-19.59,-19.59,"INaL" +"3879","cisapride","phase1_INaL_n2",100,0,7.01,7.01,"INaL" +"3880","cisapride","phase1_INaL_n2",100,0,-18,-18,"INaL" +"3881","cisapride","phase1_INaL_n2",100,0,-11.39,-11.39,"INaL" +"3882","cisapride","phase1_INaL_n2",100,0,-16.59,-16.59,"INaL" +"3883","cisapride","phase1_INaL_n2",300,0,-1.65,-1.65,"INaL" +"3884","cisapride","phase1_INaL_n2",300,0,-22.65,-22.65,"INaL" +"3885","dofetilide","phase1_INaL_n2",100,0,1.16,1.16,"INaL" +"3886","dofetilide","phase1_INaL_n2",100,0,-3.85,-3.85,"INaL" +"3887","dofetilide","phase1_INaL_n2",100,0,5.7,5.7,"INaL" +"3888","dofetilide","phase1_INaL_n2",3,0,-10.39,-10.39,"INaL" +"3889","dofetilide","phase1_INaL_n2",3,0,-22.8,-22.8,"INaL" +"3890","dofetilide","phase1_INaL_n2",100,0,2.63,2.63,"INaL" +"3891","dofetilide","phase1_INaL_n2",3,0,-12.28,-12.28,"INaL" +"3892","dofetilide","phase1_INaL_n2",1,0,-4.02,-4.02,"INaL" +"3893","dofetilide","phase1_INaL_n2",1,0,-10.43,-10.43,"INaL" +"3894","dofetilide","phase1_INaL_n2",1,0,-22.76,-22.76,"INaL" +"3895","dofetilide","phase1_INaL_n2",1,0,-34.04,-34.04,"INaL" +"3896","dofetilide","phase1_INaL_n2",1,0,-25.71,-25.71,"INaL" +"3897","dofetilide","phase1_INaL_n2",1,0,-14.33,-14.33,"INaL" +"3898","dofetilide","phase1_INaL_n2",1,0,-11.61,-11.61,"INaL" +"3899","dofetilide","phase1_INaL_n2",3,0,-24.85,-24.85,"INaL" +"3900","dofetilide","phase1_INaL_n2",10,0,-3.85,-3.85,"INaL" +"3901","dofetilide","phase1_INaL_n2",10,0,-23.7,-23.7,"INaL" +"3902","dofetilide","phase1_INaL_n2",10,0,-15.59,-15.59,"INaL" +"3903","dofetilide","phase1_INaL_n2",10,0,-17.3,-17.3,"INaL" +"3904","dofetilide","phase1_INaL_n2",10,0,-34.53,-34.53,"INaL" +"3905","dofetilide","phase1_INaL_n2",100,0,-26.85,-26.85,"INaL" +"3906","dofetilide","phase1_INaL_n2",100,0,-20.54,-20.54,"INaL" +"3907","dofetilide","phase1_INaL_n2",10,0,12.56,12.56,"INaL" +"3908","quinidine","phase1_INaL_n2",100,0,-25,-25,"INaL" +"3909","quinidine","phase1_INaL_n2",100,0,-30.09,-30.09,"INaL" +"3910","quinidine","phase1_INaL_n2",100,0,5.04,5.04,"INaL" +"3911","quinidine","phase1_INaL_n2",300,0,11.06,11.06,"INaL" +"3912","quinidine","phase1_INaL_n2",300,0,-24.39,-24.39,"INaL" +"3913","quinidine","phase1_INaL_n2",300,0,-33.72,-33.72,"INaL" +"3914","quinidine","phase1_INaL_n2",1000,0,-29.63,-29.63,"INaL" +"3915","quinidine","phase1_INaL_n2",1000,0,-12.24,-12.24,"INaL" +"3916","quinidine","phase1_INaL_n2",1000,0,9.31,9.31,"INaL" +"3917","quinidine","phase1_INaL_n2",100,0,-19.51,-19.51,"INaL" +"3918","quinidine","phase1_INaL_n2",100,0,-13.33,-13.33,"INaL" +"3919","quinidine","phase1_INaL_n2",100,0,-10.45,-10.45,"INaL" +"3920","quinidine","phase1_INaL_n2",100,0,-15.66,-15.66,"INaL" +"3921","quinidine","phase1_INaL_n2",300,0,-10.69,-10.69,"INaL" +"3922","quinidine","phase1_INaL_n2",300,0,10.29,10.29,"INaL" +"3923","quinidine","phase1_INaL_n2",300,0,7.38,7.38,"INaL" +"3924","quinidine","phase1_INaL_n2",1000,0,-2.88,-2.88,"INaL" +"3925","quinidine","phase1_INaL_n2",10000,0,73.96,73.96,"INaL" +"3926","quinidine","phase1_INaL_n2",10000,0,51,51,"INaL" +"3927","quinidine","phase1_INaL_n2",10000,0,76.92,76.92,"INaL" +"3928","quinidine","phase1_INaL_n2",10000,0,51.43,51.43,"INaL" +"3929","quinidine","phase1_INaL_n2",10000,0,86.67,86.67,"INaL" +"3930","quinidine","phase1_INaL_n2",1000,0,-19.57,-19.57,"INaL" +"3931","quinidine","phase1_INaL_n2",1000,0,7.14,7.14,"INaL" +"3932","quinidine","phase1_INaL_n2",1000,0,-25,-25,"INaL" +"3933","quinidine","phase1_INaL_n2",1000,0,-16.95,-16.95,"INaL" +"3934","quinidine","phase1_INaL_n2",1000,0,-7.78,-7.78,"INaL" +"3935","quinidine","phase1_INaL_n2",1000,0,11.65,11.65,"INaL" +"3936","quinidine","phase1_INaL_n2",1000,0,17.55,17.55,"INaL" +"3937","quinidine","phase1_INaL_n2",10000,0,71.05,71.05,"INaL" +"3938","quinidine","phase1_INaL_n2",10000,0,73.14,73.14,"INaL" +"3939","quinidine","phase1_INaL_n2",10000,0,71.58,71.58,"INaL" +"3940","quinidine","phase1_INaL_n2",10000,0,41.82,41.82,"INaL" +"3941","quinidine","phase1_INaL_n2",10000,0,80.8,80.8,"INaL" +"3942","quinidine","phase1_INaL_n2",10000,0,78.18,78.18,"INaL" +"3943","mexiletine","phase1_INaL_n2",1000,0,-2.67,-2.67,"INaL" +"3944","mexiletine","phase1_INaL_n2",1000,0,-12.1,-12.1,"INaL" +"3945","mexiletine","phase1_INaL_n2",10000,0,60.32,60.32,"INaL" +"3946","mexiletine","phase1_INaL_n2",10000,0,65.58,65.58,"INaL" +"3947","mexiletine","phase1_INaL_n2",1000,0,-16.57,-16.57,"INaL" +"3948","mexiletine","phase1_INaL_n2",1000,0,-10.4,-10.4,"INaL" +"3949","mexiletine","phase1_INaL_n2",1000,0,-5.8,-5.8,"INaL" +"3950","mexiletine","phase1_INaL_n2",1000,0,-20.75,-20.75,"INaL" +"3951","mexiletine","phase1_INaL_n2",1e+05,0,97.25,97.25,"INaL" +"3952","mexiletine","phase1_INaL_n2",1e+05,0,98.82,98.82,"INaL" +"3953","mexiletine","phase1_INaL_n2",1e+05,0,91.03,91.03,"INaL" +"3954","mexiletine","phase1_INaL_n2",1e+05,0,98.29,98.29,"INaL" +"3955","mexiletine","phase1_INaL_n2",1e+05,0,96.59,96.59,"INaL" +"3956","mexiletine","phase1_INaL_n2",1e+05,0,85,85,"INaL" +"3957","mexiletine","phase1_INaL_n2",10000,0,59.33,59.33,"INaL" +"3958","mexiletine","phase1_INaL_n2",10000,0,37.58,37.58,"INaL" +"3959","mexiletine","phase1_INaL_n2",10000,0,43.75,43.75,"INaL" +"3960","mexiletine","phase1_INaL_n2",10000,0,55.56,55.56,"INaL" +"3961","mexiletine","phase1_INaL_n2",10000,0,52.13,52.13,"INaL" +"3962","mexiletine","phase1_INaL_n2",10000,0,61.76,61.76,"INaL" +"3963","mexiletine","phase1_INaL_n2",10000,0,43.75,43.75,"INaL" +"3964","mexiletine","phase1_INaL_n2",10000,0,43.46,43.46,"INaL" +"3965","mexiletine","phase1_INaL_n2",10000,0,58.4,58.4,"INaL" +"3966","mexiletine","phase1_INaL_n2",30000,0,94.55,94.55,"INaL" +"3967","mexiletine","phase1_INaL_n2",30000,0,95.83,95.83,"INaL" +"3968","mexiletine","phase1_INaL_n2",30000,0,88.76,88.76,"INaL" +"3969","mexiletine","phase1_INaL_n2",30000,0,97.5,97.5,"INaL" +"3970","mexiletine","phase1_INaL_n2",30000,0,94.12,94.12,"INaL" +"3971","mexiletine","phase1_INaL_n2",30000,0,90.07,90.07,"INaL" +"3972","mexiletine","phase1_INaL_n2",30000,0,93.64,93.64,"INaL" +"3973","mexiletine","phase1_INaL_n2",30000,0,91.91,91.91,"INaL" +"3974","mexiletine","phase1_INaL_n2",30000,0,92,92,"INaL" +"3975","mexiletine","phase1_INaL_n2",30000,0,92.07,92.07,"INaL" +"3976","mexiletine","phase1_INaL_n2",30000,0,90.39,90.39,"INaL" +"3977","mexiletine","phase1_INaL_n2",30000,0,98.58,98.58,"INaL" +"3978","mexiletine","phase1_INaL_n2",1e+05,0,113.16,113.16,"INaL" +"3979","mexiletine","phase1_INaL_n2",1e+05,0,107.14,107.14,"INaL" +"3980","mexiletine","phase1_INaL_n2",1e+05,0,106.85,106.85,"INaL" +"3981","mexiletine","phase1_INaL_n2",1e+05,0,105.8,105.8,"INaL" +"3982","mexiletine","phase1_INaL_n2",1e+05,0,81.03,81.03,"INaL" +"3983","mexiletine","phase1_INaL_n2",1e+05,0,104.05,104.05,"INaL" +"3984","mexiletine","phase1_INaL_n2",1e+05,0,97.25,97.25,"INaL" +"3985","mexiletine","phase1_INaL_n2",1e+05,0,98.82,98.82,"INaL" +"3986","mexiletine","phase1_INaL_n2",1e+05,0,91.03,91.03,"INaL" +"3987","mexiletine","phase1_INaL_n2",1e+05,0,98.29,98.29,"INaL" +"3988","mexiletine","phase1_INaL_n2",1e+05,0,96.59,96.59,"INaL" +"3989","mexiletine","phase1_INaL_n2",1e+05,0,81.03,81.03,"INaL" +"3990","mexiletine","phase1_INaL_n2",1e+05,0,104.05,104.05,"INaL" +"3991","loratadine","Phase2_1-5_n1_n2",0.45,27,12,-20.54794521,"ICaL" +"3992","loratadine","Phase2_1-5_n1_n2",0.45,27,33.36,8.712328767,"ICaL" +"3993","loratadine","Phase2_1-5_n1_n2",0.45,27,19.95,-9.657534247,"ICaL" +"3994","loratadine","Phase2_1-5_n1_n2",0.45,27,26.84,-0.219178082,"ICaL" +"3995","loratadine","Phase2_1-5_n1_n2",0.45,27,36.65,13.21917808,"ICaL" +"3996","loratadine","Phase2_1-5_n1_n2",0.45,27,19.52,-10.24657534,"ICaL" +"3997","loratadine","Phase2_1-5_n1_n2",0.45,27,15.38,-15.91780822,"ICaL" +"3998","loratadine","Phase2_1-5_n1_n2",0.45,27,22.55,-6.095890411,"ICaL" +"3999","loratadine","Phase2_1-5_n1_n2",0.45,27,22.53,-6.123287671,"ICaL" +"4000","loratadine","Phase2_1-5_n1_n2",0.45,27,26.64,-0.493150685,"ICaL" +"4001","loratadine","Phase2_1-5_n1_n2",0.45,27,23.61,-4.643835616,"ICaL" +"4002","loratadine","Phase2_1-5_n1_n2",0.45,27,30.77,5.164383562,"ICaL" +"4003","loratadine","Phase2_1-5_n1_n2",0.45,27,36.7,13.28767123,"ICaL" +"4004","loratadine","Phase2_1-5_n1_n2",0.45,27,17.92,-12.43835616,"ICaL" +"4005","loratadine","Phase2_1-5_n1_n2",0.45,27,23.26,-5.123287671,"ICaL" +"4006","loratadine","Phase2_1-5_n1_n2",0.45,27,24.44,-3.506849315,"ICaL" +"4007","loratadine","Phase2_1-5_n1_n2",0.45,27,31.09,5.602739726,"ICaL" +"4008","loratadine","Phase2_1-5_n1_n2",4.5,27,15.73,-15.43835616,"ICaL" +"4009","loratadine","Phase2_1-5_n1_n2",4.5,27,16.29,-14.67123288,"ICaL" +"4010","loratadine","Phase2_1-5_n1_n2",4.5,27,21.78,-7.150684932,"ICaL" +"4011","loratadine","Phase2_1-5_n1_n2",4.5,27,11.99,-20.56164384,"ICaL" +"4012","loratadine","Phase2_1-5_n1_n2",4.5,27,30.93,5.383561644,"ICaL" +"4013","loratadine","Phase2_1-5_n1_n2",4.5,27,39.59,17.24657534,"ICaL" +"4014","loratadine","Phase2_1-5_n1_n2",4.5,27,37.29,14.09589041,"ICaL" +"4015","loratadine","Phase2_1-5_n1_n2",4.5,27,22.13,-6.671232877,"ICaL" +"4016","loratadine","Phase2_1-5_n1_n2",4.5,27,36.39,12.8630137,"ICaL" +"4017","loratadine","Phase2_1-5_n1_n2",4.5,27,41.06,19.26027397,"ICaL" +"4018","loratadine","Phase2_1-5_n1_n2",4.5,27,28.84,2.520547945,"ICaL" +"4019","loratadine","Phase2_1-5_n1_n2",4.5,27,32.43,7.438356164,"ICaL" +"4020","loratadine","Phase2_1-5_n1_n2",4.5,27,27.8,1.095890411,"ICaL" +"4021","loratadine","Phase2_1-5_n1_n2",4.5,27,26.65,-0.479452055,"ICaL" +"4022","loratadine","Phase2_1-5_n1_n2",4.5,27,32.07,6.945205479,"ICaL" +"4023","loratadine","Phase2_1-5_n1_n2",4.5,27,32.41,7.410958904,"ICaL" +"4024","loratadine","Phase2_1-5_n1_n2",450,27,38.33,15.52054795,"ICaL" +"4025","loratadine","Phase2_1-5_n1_n2",450,27,26.78,-0.301369863,"ICaL" +"4026","loratadine","Phase2_1-5_n1_n2",450,27,19.04,-10.90410959,"ICaL" +"4027","loratadine","Phase2_1-5_n1_n2",450,27,15.91,-15.19178082,"ICaL" +"4028","loratadine","Phase2_1-5_n1_n2",450,27,28.3,1.780821918,"ICaL" +"4029","loratadine","Phase2_1-5_n1_n2",450,27,37.18,13.94520548,"ICaL" +"4030","loratadine","Phase2_1-5_n1_n2",450,27,34.87,10.78082192,"ICaL" +"4031","loratadine","Phase2_1-5_n1_n2",450,27,39.97,17.76712329,"ICaL" +"4032","loratadine","Phase2_1-5_n1_n2",450,27,39.65,17.32876712,"ICaL" +"4033","loratadine","Phase2_1-5_n1_n2",450,27,21.91,-6.97260274,"ICaL" +"4034","loratadine","Phase2_1-5_n1_n2",450,27,35.65,11.84931507,"ICaL" +"4035","loratadine","Phase2_1-5_n1_n2",450,27,34.55,10.34246575,"ICaL" +"4036","loratadine","Phase2_1-5_n1_n2",450,27,18.52,-11.61643836,"ICaL" +"4037","loratadine","Phase2_1-5_n1_n2",450,27,24.73,-3.109589041,"ICaL" +"4038","loratadine","Phase2_1-5_n1_n2",450,27,17.68,-12.76712329,"ICaL" +"4039","loratadine","Phase2_1-5_n1_n2",450,27,26.85,-0.205479452,"ICaL" +"4040","loratadine","Phase2_1-5_n1_n2",450,27,20.67,-8.671232877,"ICaL" +"4041","loratadine","Phase2_1-5_n1_n2",450,27,26.95,-0.068493151,"ICaL" +"4042","loratadine","Phase2_1-5_n1_n2",35000,27,103.14,104.3013699,"ICaL" +"4043","loratadine","Phase2_1-5_n1_n2",35000,27,95.67,94.06849315,"ICaL" +"4044","loratadine","Phase2_1-5_n1_n2",35000,27,82.45,75.95890411,"ICaL" +"4045","loratadine","Phase2_1-5_n1_n2",35000,27,99.04,98.68493151,"ICaL" +"4046","loratadine","Phase2_1-5_n1_n2",35000,27,97.85,97.05479452,"ICaL" +"4047","loratadine","Phase2_1-5_n1_n2",35000,27,97.57,96.67123288,"ICaL" +"4048","loratadine","Phase2_1-5_n1_n2",35000,27,93.33,90.8630137,"ICaL" +"4049","loratadine","Phase2_1-5_n1_n2",35000,27,98.68,98.19178082,"ICaL" +"4050","loratadine","Phase2_1-5_n1_n2",35000,27,97.36,96.38356164,"ICaL" +"4051","loratadine","Phase2_1-5_n1_n2",35000,27,100.67,100.9178082,"ICaL" +"4052","loratadine","Phase2_1-5_n1_n2",35000,27,95.28,93.53424658,"ICaL" +"4053","loratadine","Phase2_1-5_n1_n2",35000,27,99.07,98.7260274,"ICaL" +"4054","loratadine","Phase2_1-5_n1_n2",35000,27,99.99,99.98630137,"ICaL" +"4055","loratadine","Phase2_1-5_n1_n2",35000,27,100.94,101.2876712,"ICaL" +"4056","loratadine","Phase2_1-5_n1_n2",35000,27,95.4,93.69863014,"ICaL" +"4057","loratadine","Phase2_1-5_n1_n2",35000,27,92.6,89.8630137,"ICaL" +"4058","loratadine","Phase2_1-5_n1_n2",35000,27,94.33,92.23287671,"ICaL" +"4059","loratadine","Phase2_1-5_n1_n2",35000,27,105.72,107.8356164,"ICaL" +"4060","loratadine","Phase2_1-5_n1_n2",35000,27,100.55,100.7534247,"ICaL" +"4061","loratadine","Phase2_1-5_n1_n2",35000,27,99.33,99.08219178,"ICaL" +"4062","loratadine","Phase2_1-5_n1_n2",35000,27,100.64,100.8767123,"ICaL" +"4063","ibutilide","Phase2_1-5_n1_n2",10,27,19.71,-9.98630137,"ICaL" +"4064","ibutilide","Phase2_1-5_n1_n2",10,27,27.1,0.136986301,"ICaL" +"4065","ibutilide","Phase2_1-5_n1_n2",10,27,26.8,-0.273972603,"ICaL" +"4066","ibutilide","Phase2_1-5_n1_n2",10,27,26.05,-1.301369863,"ICaL" +"4067","ibutilide","Phase2_1-5_n1_n2",10,27,16.23,-14.75342466,"ICaL" +"4068","ibutilide","Phase2_1-5_n1_n2",10,27,28.49,2.04109589,"ICaL" +"4069","ibutilide","Phase2_1-5_n1_n2",10,27,16.59,-14.26027397,"ICaL" +"4070","ibutilide","Phase2_1-5_n1_n2",10,27,27.83,1.136986301,"ICaL" +"4071","ibutilide","Phase2_1-5_n1_n2",10,27,33.58,9.01369863,"ICaL" +"4072","ibutilide","Phase2_1-5_n1_n2",10,27,22.82,-5.726027397,"ICaL" +"4073","ibutilide","Phase2_1-5_n1_n2",10,27,14.65,-16.91780822,"ICaL" +"4074","ibutilide","Phase2_1-5_n1_n2",10,27,21.61,-7.383561644,"ICaL" +"4075","ibutilide","Phase2_1-5_n1_n2",10,27,31.84,6.630136986,"ICaL" +"4076","ibutilide","Phase2_1-5_n1_n2",10,27,20.71,-8.616438356,"ICaL" +"4077","ibutilide","Phase2_1-5_n1_n2",10,27,33.83,9.356164384,"ICaL" +"4078","ibutilide","Phase2_1-5_n1_n2",10,27,29.32,3.178082192,"ICaL" +"4079","ibutilide","Phase2_1-5_n1_n2",10,27,32.5,7.534246575,"ICaL" +"4080","ibutilide","Phase2_1-5_n1_n2",10,27,22.13,-6.671232877,"ICaL" +"4081","ibutilide","Phase2_1-5_n1_n2",10,27,25.99,-1.383561644,"ICaL" +"4082","ibutilide","Phase2_1-5_n1_n2",100,27,43.74,22.93150685,"ICaL" +"4083","ibutilide","Phase2_1-5_n1_n2",100,27,19.62,-10.10958904,"ICaL" +"4084","ibutilide","Phase2_1-5_n1_n2",100,27,22.94,-5.561643836,"ICaL" +"4085","ibutilide","Phase2_1-5_n1_n2",100,27,32.1,6.98630137,"ICaL" +"4086","ibutilide","Phase2_1-5_n1_n2",100,27,14.39,-17.2739726,"ICaL" +"4087","ibutilide","Phase2_1-5_n1_n2",100,27,10.79,-22.20547945,"ICaL" +"4088","ibutilide","Phase2_1-5_n1_n2",100,27,43.63,22.78082192,"ICaL" +"4089","ibutilide","Phase2_1-5_n1_n2",100,27,36.21,12.61643836,"ICaL" +"4090","ibutilide","Phase2_1-5_n1_n2",100,27,32.2,7.123287671,"ICaL" +"4091","ibutilide","Phase2_1-5_n1_n2",100,27,31.16,5.698630137,"ICaL" +"4092","ibutilide","Phase2_1-5_n1_n2",100,27,32.53,7.575342466,"ICaL" +"4093","ibutilide","Phase2_1-5_n1_n2",100,27,26.11,-1.219178082,"ICaL" +"4094","ibutilide","Phase2_1-5_n1_n2",100,27,27.75,1.02739726,"ICaL" +"4095","ibutilide","Phase2_1-5_n1_n2",100,27,42.96,21.8630137,"ICaL" +"4096","ibutilide","Phase2_1-5_n1_n2",100,27,34.97,10.91780822,"ICaL" +"4097","ibutilide","Phase2_1-5_n1_n2",100,27,15.29,-16.04109589,"ICaL" +"4098","ibutilide","Phase2_1-5_n1_n2",100,27,28.9,2.602739726,"ICaL" +"4099","ibutilide","Phase2_1-5_n1_n2",100,27,19.38,-10.43835616,"ICaL" +"4100","ibutilide","Phase2_1-5_n1_n2",100,27,31.14,5.671232877,"ICaL" +"4101","ibutilide","Phase2_1-5_n1_n2",1000,27,27.49,0.671232877,"ICaL" +"4102","ibutilide","Phase2_1-5_n1_n2",1000,27,13.7,-18.21917808,"ICaL" +"4103","ibutilide","Phase2_1-5_n1_n2",1000,27,45.42,25.23287671,"ICaL" +"4104","ibutilide","Phase2_1-5_n1_n2",1000,27,29.95,4.04109589,"ICaL" +"4105","ibutilide","Phase2_1-5_n1_n2",1000,27,23.45,-4.863013699,"ICaL" +"4106","ibutilide","Phase2_1-5_n1_n2",1000,27,21,-8.219178082,"ICaL" +"4107","ibutilide","Phase2_1-5_n1_n2",1000,27,43.49,22.5890411,"ICaL" +"4108","ibutilide","Phase2_1-5_n1_n2",1000,27,35.53,11.68493151,"ICaL" +"4109","ibutilide","Phase2_1-5_n1_n2",1000,27,36.25,12.67123288,"ICaL" +"4110","ibutilide","Phase2_1-5_n1_n2",1000,27,45.88,25.8630137,"ICaL" +"4111","ibutilide","Phase2_1-5_n1_n2",1000,27,24.6,-3.287671233,"ICaL" +"4112","ibutilide","Phase2_1-5_n1_n2",1000,27,26.77,-0.315068493,"ICaL" +"4113","ibutilide","Phase2_1-5_n1_n2",1000,27,41.36,19.67123288,"ICaL" +"4114","ibutilide","Phase2_1-5_n1_n2",1000,27,25.33,-2.287671233,"ICaL" +"4115","ibutilide","Phase2_1-5_n1_n2",1000,27,29.68,3.671232877,"ICaL" +"4116","ibutilide","Phase2_1-5_n1_n2",1000,27,33.62,9.068493151,"ICaL" +"4117","ibutilide","Phase2_1-5_n1_n2",1000,27,46.15,26.23287671,"ICaL" +"4118","ibutilide","Phase2_1-5_n1_n2",1000,27,35.23,11.2739726,"ICaL" +"4119","ibutilide","Phase2_1-5_n1_n2",1000,27,27.54,0.739726027,"ICaL" +"4120","ibutilide","Phase2_1-5_n1_n2",10000,27,87.28,82.57534247,"ICaL" +"4121","ibutilide","Phase2_1-5_n1_n2",10000,27,76.97,68.45205479,"ICaL" +"4122","ibutilide","Phase2_1-5_n1_n2",10000,27,83.96,78.02739726,"ICaL" +"4123","ibutilide","Phase2_1-5_n1_n2",10000,27,85.04,79.50684932,"ICaL" +"4124","ibutilide","Phase2_1-5_n1_n2",10000,27,65.5,52.73972603,"ICaL" +"4125","ibutilide","Phase2_1-5_n1_n2",10000,27,86.51,81.52054795,"ICaL" +"4126","ibutilide","Phase2_1-5_n1_n2",10000,27,77.26,68.84931507,"ICaL" +"4127","ibutilide","Phase2_1-5_n1_n2",10000,27,74.65,65.2739726,"ICaL" +"4128","ibutilide","Phase2_1-5_n1_n2",10000,27,93.82,91.53424658,"ICaL" +"4129","ibutilide","Phase2_1-5_n1_n2",10000,27,94.27,92.15068493,"ICaL" +"4130","ibutilide","Phase2_1-5_n1_n2",10000,27,66.82,54.54794521,"ICaL" +"4131","ibutilide","Phase2_1-5_n1_n2",10000,27,96.38,95.04109589,"ICaL" +"4132","ibutilide","Phase2_1-5_n1_n2",10000,27,104.55,106.2328767,"ICaL" +"4133","ibutilide","Phase2_1-5_n1_n2",10000,27,82.73,76.34246575,"ICaL" +"4134","ibutilide","Phase2_1-5_n1_n2",10000,27,72.53,62.36986301,"ICaL" +"4135","ibutilide","Phase2_1-5_n1_n2",10000,27,75.92,67.01369863,"ICaL" +"4136","metoprolol","Phase2_1-5_n1_n2",1800,27,19.38,-10.43835616,"ICaL" +"4137","metoprolol","Phase2_1-5_n1_n2",1800,27,25.58,-1.945205479,"ICaL" +"4138","metoprolol","Phase2_1-5_n1_n2",1800,27,21.84,-7.068493151,"ICaL" +"4139","metoprolol","Phase2_1-5_n1_n2",1800,27,16.43,-14.47945205,"ICaL" +"4140","metoprolol","Phase2_1-5_n1_n2",1800,27,35.45,11.57534247,"ICaL" +"4141","metoprolol","Phase2_1-5_n1_n2",1800,27,36.01,12.34246575,"ICaL" +"4142","metoprolol","Phase2_1-5_n1_n2",1800,27,31.27,5.849315068,"ICaL" +"4143","metoprolol","Phase2_1-5_n1_n2",1800,27,32.07,6.945205479,"ICaL" +"4144","metoprolol","Phase2_1-5_n1_n2",1800,27,23.24,-5.150684932,"ICaL" +"4145","metoprolol","Phase2_1-5_n1_n2",1800,27,22.49,-6.178082192,"ICaL" +"4146","metoprolol","Phase2_1-5_n1_n2",1800,27,29.72,3.726027397,"ICaL" +"4147","metoprolol","Phase2_1-5_n1_n2",1800,27,39.61,17.2739726,"ICaL" +"4148","metoprolol","Phase2_1-5_n1_n2",1800,27,23.14,-5.287671233,"ICaL" +"4149","metoprolol","Phase2_1-5_n1_n2",1800,27,35.34,11.42465753,"ICaL" +"4150","metoprolol","Phase2_1-5_n1_n2",1800,27,31.48,6.136986301,"ICaL" +"4151","metoprolol","Phase2_1-5_n1_n2",1800,27,29.84,3.890410959,"ICaL" +"4152","metoprolol","Phase2_1-5_n1_n2",1800,27,37.39,14.23287671,"ICaL" +"4153","metoprolol","Phase2_1-5_n1_n2",18000,27,22.29,-6.452054795,"ICaL" +"4154","metoprolol","Phase2_1-5_n1_n2",18000,27,34.44,10.19178082,"ICaL" +"4155","metoprolol","Phase2_1-5_n1_n2",18000,27,28.79,2.452054795,"ICaL" +"4156","metoprolol","Phase2_1-5_n1_n2",18000,27,37.65,14.5890411,"ICaL" +"4157","metoprolol","Phase2_1-5_n1_n2",18000,27,40.45,18.42465753,"ICaL" +"4158","metoprolol","Phase2_1-5_n1_n2",18000,27,23.59,-4.671232877,"ICaL" +"4159","metoprolol","Phase2_1-5_n1_n2",18000,27,34.54,10.32876712,"ICaL" +"4160","metoprolol","Phase2_1-5_n1_n2",18000,27,43.16,22.1369863,"ICaL" +"4161","metoprolol","Phase2_1-5_n1_n2",18000,27,47.67,28.31506849,"ICaL" +"4162","metoprolol","Phase2_1-5_n1_n2",18000,27,34.25,9.931506849,"ICaL" +"4163","metoprolol","Phase2_1-5_n1_n2",18000,27,48.39,29.30136986,"ICaL" +"4164","metoprolol","Phase2_1-5_n1_n2",18000,27,39.36,16.93150685,"ICaL" +"4165","metoprolol","Phase2_1-5_n1_n2",18000,27,46.25,26.36986301,"ICaL" +"4166","metoprolol","Phase2_1-5_n1_n2",18000,27,27.77,1.054794521,"ICaL" +"4167","metoprolol","Phase2_1-5_n1_n2",18000,27,49.62,30.98630137,"ICaL" +"4168","metoprolol","Phase2_1-5_n1_n2",180000,27,40.42,18.38356164,"ICaL" +"4169","metoprolol","Phase2_1-5_n1_n2",180000,27,46.16,26.24657534,"ICaL" +"4170","metoprolol","Phase2_1-5_n1_n2",180000,27,51.06,32.95890411,"ICaL" +"4171","metoprolol","Phase2_1-5_n1_n2",180000,27,41.14,19.36986301,"ICaL" +"4172","metoprolol","Phase2_1-5_n1_n2",180000,27,62.44,48.54794521,"ICaL" +"4173","metoprolol","Phase2_1-5_n1_n2",180000,27,57.59,41.90410959,"ICaL" +"4174","metoprolol","Phase2_1-5_n1_n2",180000,27,65.34,52.52054795,"ICaL" +"4175","metoprolol","Phase2_1-5_n1_n2",180000,27,59.86,45.01369863,"ICaL" +"4176","metoprolol","Phase2_1-5_n1_n2",180000,27,60.4,45.75342466,"ICaL" +"4177","metoprolol","Phase2_1-5_n1_n2",180000,27,49.32,30.57534247,"ICaL" +"4178","metoprolol","Phase2_1-5_n1_n2",180000,27,59,43.83561644,"ICaL" +"4179","metoprolol","Phase2_1-5_n1_n2",180000,27,70.91,60.15068493,"ICaL" +"4180","metoprolol","Phase2_1-5_n1_n2",180000,27,63.03,49.35616438,"ICaL" +"4181","metoprolol","Phase2_1-5_n1_n2",180000,27,62.08,48.05479452,"ICaL" +"4182","metoprolol","Phase2_1-5_n1_n2",180000,27,44.27,23.65753425,"ICaL" +"4183","metoprolol","Phase2_1-5_n1_n2",180000,27,47.12,27.56164384,"ICaL" +"4184","metoprolol","Phase2_1-5_n1_n2",438000,27,65.47,52.69863014,"ICaL" +"4185","metoprolol","Phase2_1-5_n1_n2",438000,27,70,58.90410959,"ICaL" +"4186","metoprolol","Phase2_1-5_n1_n2",438000,27,74.58,65.17808219,"ICaL" +"4187","metoprolol","Phase2_1-5_n1_n2",438000,27,62.73,48.94520548,"ICaL" +"4188","metoprolol","Phase2_1-5_n1_n2",438000,27,57.68,42.02739726,"ICaL" +"4189","metoprolol","Phase2_1-5_n1_n2",438000,27,58.13,42.64383562,"ICaL" +"4190","metoprolol","Phase2_1-5_n1_n2",438000,27,53.1,35.75342466,"ICaL" +"4191","metoprolol","Phase2_1-5_n1_n2",438000,27,70.06,58.98630137,"ICaL" +"4192","metoprolol","Phase2_1-5_n1_n2",438000,27,67.41,55.35616438,"ICaL" +"4193","metoprolol","Phase2_1-5_n1_n2",438000,27,84.22,78.38356164,"ICaL" +"4194","metoprolol","Phase2_1-5_n1_n2",438000,27,81.75,75,"ICaL" +"4195","metoprolol","Phase2_1-5_n1_n2",438000,27,65.46,52.68493151,"ICaL" +"4196","metoprolol","Phase2_1-5_n1_n2",438000,27,79.2,71.50684932,"ICaL" +"4197","metoprolol","Phase2_1-5_n1_n2",438000,27,87.39,82.7260274,"ICaL" +"4198","droperidol","Phase2_1-5_n1_n2",16,27,12.43,-19.95890411,"ICaL" +"4199","droperidol","Phase2_1-5_n1_n2",16,27,33.57,9,"ICaL" +"4200","droperidol","Phase2_1-5_n1_n2",16,27,30,4.109589041,"ICaL" +"4201","droperidol","Phase2_1-5_n1_n2",16,27,30.35,4.589041096,"ICaL" +"4202","droperidol","Phase2_1-5_n1_n2",16,27,16.9,-13.83561644,"ICaL" +"4203","droperidol","Phase2_1-5_n1_n2",16,27,38.34,15.53424658,"ICaL" +"4204","droperidol","Phase2_1-5_n1_n2",16,27,26.1,-1.232876712,"ICaL" +"4205","droperidol","Phase2_1-5_n1_n2",16,27,20.6,-8.767123288,"ICaL" +"4206","droperidol","Phase2_1-5_n1_n2",16,27,31.56,6.246575342,"ICaL" +"4207","droperidol","Phase2_1-5_n1_n2",16,27,40.96,19.12328767,"ICaL" +"4208","droperidol","Phase2_1-5_n1_n2",16,27,27.46,0.630136986,"ICaL" +"4209","droperidol","Phase2_1-5_n1_n2",16,27,21.57,-7.438356164,"ICaL" +"4210","droperidol","Phase2_1-5_n1_n2",16,27,23.3,-5.068493151,"ICaL" +"4211","droperidol","Phase2_1-5_n1_n2",16,27,31.66,6.383561644,"ICaL" +"4212","droperidol","Phase2_1-5_n1_n2",16,27,25.83,-1.602739726,"ICaL" +"4213","droperidol","Phase2_1-5_n1_n2",16,27,36.83,13.46575342,"ICaL" +"4214","droperidol","Phase2_1-5_n1_n2",16,27,18,-12.32876712,"ICaL" +"4215","droperidol","Phase2_1-5_n1_n2",16,27,35.07,11.05479452,"ICaL" +"4216","droperidol","Phase2_1-5_n1_n2",16,27,19.36,-10.46575342,"ICaL" +"4217","droperidol","Phase2_1-5_n1_n2",16,27,38.29,15.46575342,"ICaL" +"4218","droperidol","Phase2_1-5_n1_n2",16,27,17.94,-12.4109589,"ICaL" +"4219","droperidol","Phase2_1-5_n1_n2",160,27,39.25,16.78082192,"ICaL" +"4220","droperidol","Phase2_1-5_n1_n2",160,27,34.96,10.90410959,"ICaL" +"4221","droperidol","Phase2_1-5_n1_n2",160,27,28.4,1.917808219,"ICaL" +"4222","droperidol","Phase2_1-5_n1_n2",160,27,36.03,12.36986301,"ICaL" +"4223","droperidol","Phase2_1-5_n1_n2",160,27,27.95,1.301369863,"ICaL" +"4224","droperidol","Phase2_1-5_n1_n2",160,27,38.64,15.94520548,"ICaL" +"4225","droperidol","Phase2_1-5_n1_n2",160,27,31.62,6.328767123,"ICaL" +"4226","droperidol","Phase2_1-5_n1_n2",160,27,18.77,-11.2739726,"ICaL" +"4227","droperidol","Phase2_1-5_n1_n2",160,27,36.41,12.89041096,"ICaL" +"4228","droperidol","Phase2_1-5_n1_n2",160,27,23.89,-4.260273973,"ICaL" +"4229","droperidol","Phase2_1-5_n1_n2",160,27,25.34,-2.273972603,"ICaL" +"4230","droperidol","Phase2_1-5_n1_n2",160,27,24.98,-2.767123288,"ICaL" +"4231","droperidol","Phase2_1-5_n1_n2",160,27,32.04,6.904109589,"ICaL" +"4232","droperidol","Phase2_1-5_n1_n2",160,27,17.54,-12.95890411,"ICaL" +"4233","droperidol","Phase2_1-5_n1_n2",160,27,33.82,9.342465753,"ICaL" +"4234","droperidol","Phase2_1-5_n1_n2",160,27,33.92,9.479452055,"ICaL" +"4235","droperidol","Phase2_1-5_n1_n2",160,27,29.43,3.328767123,"ICaL" +"4236","droperidol","Phase2_1-5_n1_n2",1600,27,40.11,17.95890411,"ICaL" +"4237","droperidol","Phase2_1-5_n1_n2",1600,27,43.11,22.06849315,"ICaL" +"4238","droperidol","Phase2_1-5_n1_n2",1600,27,37.52,14.4109589,"ICaL" +"4239","droperidol","Phase2_1-5_n1_n2",1600,27,27.93,1.273972603,"ICaL" +"4240","droperidol","Phase2_1-5_n1_n2",1600,27,30.61,4.945205479,"ICaL" +"4241","droperidol","Phase2_1-5_n1_n2",1600,27,54.92,38.24657534,"ICaL" +"4242","droperidol","Phase2_1-5_n1_n2",1600,27,42.37,21.05479452,"ICaL" +"4243","droperidol","Phase2_1-5_n1_n2",1600,27,43.9,23.15068493,"ICaL" +"4244","droperidol","Phase2_1-5_n1_n2",1600,27,23.56,-4.712328767,"ICaL" +"4245","droperidol","Phase2_1-5_n1_n2",1600,27,41.48,19.83561644,"ICaL" +"4246","droperidol","Phase2_1-5_n1_n2",1600,27,45.71,25.63013699,"ICaL" +"4247","droperidol","Phase2_1-5_n1_n2",1600,27,36.29,12.7260274,"ICaL" +"4248","droperidol","Phase2_1-5_n1_n2",1600,27,35.9,12.19178082,"ICaL" +"4249","droperidol","Phase2_1-5_n1_n2",1600,27,17.86,-12.52054795,"ICaL" +"4250","droperidol","Phase2_1-5_n1_n2",1600,27,51.44,33.47945205,"ICaL" +"4251","droperidol","Phase2_1-5_n1_n2",1600,27,25.87,-1.547945205,"ICaL" +"4252","droperidol","Phase2_1-5_n1_n2",1600,27,39.21,16.7260274,"ICaL" +"4253","droperidol","Phase2_1-5_n1_n2",1600,27,43.6,22.73972603,"ICaL" +"4254","droperidol","Phase2_1-5_n1_n2",1600,27,23.56,-4.712328767,"ICaL" +"4255","droperidol","Phase2_1-5_n1_n2",1600,27,28.71,2.342465753,"ICaL" +"4256","droperidol","Phase2_1-5_n1_n2",16000,27,72.73,62.64383562,"ICaL" +"4257","droperidol","Phase2_1-5_n1_n2",16000,27,62.57,48.7260274,"ICaL" +"4258","droperidol","Phase2_1-5_n1_n2",16000,27,51.84,34.02739726,"ICaL" +"4259","droperidol","Phase2_1-5_n1_n2",16000,27,66.81,54.53424658,"ICaL" +"4260","droperidol","Phase2_1-5_n1_n2",16000,27,62.29,48.34246575,"ICaL" +"4261","droperidol","Phase2_1-5_n1_n2",16000,27,77.17,68.7260274,"ICaL" +"4262","droperidol","Phase2_1-5_n1_n2",16000,27,57.48,41.75342466,"ICaL" +"4263","droperidol","Phase2_1-5_n1_n2",16000,27,83.06,76.79452055,"ICaL" +"4264","droperidol","Phase2_1-5_n1_n2",16000,27,69.6,58.35616438,"ICaL" +"4265","droperidol","Phase2_1-5_n1_n2",16000,27,78.43,70.45205479,"ICaL" +"4266","droperidol","Phase2_1-5_n1_n2",16000,27,71.04,60.32876712,"ICaL" +"4267","droperidol","Phase2_1-5_n1_n2",16000,27,77.51,69.19178082,"ICaL" +"4268","droperidol","Phase2_1-5_n1_n2",16000,27,88.12,83.7260274,"ICaL" +"4269","droperidol","Phase2_1-5_n1_n2",16000,27,82.48,76,"ICaL" +"4270","droperidol","Phase2_1-5_n1_n2",16000,27,90.58,87.09589041,"ICaL" +"4271","droperidol","Phase2_1-5_n1_n2",16000,27,85.81,80.56164384,"ICaL" +"4272","droperidol","Phase2_1-5_n1_n2",16000,27,92.05,89.10958904,"ICaL" +"4273","droperidol","Phase2_1-5_n1_n2",16000,27,67.68,55.7260274,"ICaL" +"4274","droperidol","Phase2_1-5_n1_n2",16000,27,66.11,53.57534247,"ICaL" +"4275","domperidone","Phase2_1-5_n1_n2",20,27,28.96,2.684931507,"ICaL" +"4276","domperidone","Phase2_1-5_n1_n2",20,27,13.95,-17.87671233,"ICaL" +"4277","domperidone","Phase2_1-5_n1_n2",20,27,25.98,-1.397260274,"ICaL" +"4278","domperidone","Phase2_1-5_n1_n2",20,27,21.11,-8.068493151,"ICaL" +"4279","domperidone","Phase2_1-5_n1_n2",20,27,33.42,8.794520548,"ICaL" +"4280","domperidone","Phase2_1-5_n1_n2",20,27,18.14,-12.1369863,"ICaL" +"4281","domperidone","Phase2_1-5_n1_n2",20,27,31.01,5.493150685,"ICaL" +"4282","domperidone","Phase2_1-5_n1_n2",20,27,25.11,-2.589041096,"ICaL" +"4283","domperidone","Phase2_1-5_n1_n2",20,27,24.97,-2.780821918,"ICaL" +"4284","domperidone","Phase2_1-5_n1_n2",20,27,40.45,18.42465753,"ICaL" +"4285","domperidone","Phase2_1-5_n1_n2",20,27,33.77,9.273972603,"ICaL" +"4286","domperidone","Phase2_1-5_n1_n2",20,27,43.07,22.01369863,"ICaL" +"4287","domperidone","Phase2_1-5_n1_n2",20,27,34.06,9.671232877,"ICaL" +"4288","domperidone","Phase2_1-5_n1_n2",20,27,24.17,-3.876712329,"ICaL" +"4289","domperidone","Phase2_1-5_n1_n2",20,27,17.75,-12.67123288,"ICaL" +"4290","domperidone","Phase2_1-5_n1_n2",20,27,21.27,-7.849315068,"ICaL" +"4291","domperidone","Phase2_1-5_n1_n2",200,27,32.38,7.369863014,"ICaL" +"4292","domperidone","Phase2_1-5_n1_n2",200,27,38.33,15.52054795,"ICaL" +"4293","domperidone","Phase2_1-5_n1_n2",200,27,20.02,-9.561643836,"ICaL" +"4294","domperidone","Phase2_1-5_n1_n2",200,27,32.13,7.02739726,"ICaL" +"4295","domperidone","Phase2_1-5_n1_n2",200,27,46,26.02739726,"ICaL" +"4296","domperidone","Phase2_1-5_n1_n2",200,27,29.91,3.98630137,"ICaL" +"4297","domperidone","Phase2_1-5_n1_n2",200,27,16.3,-14.65753425,"ICaL" +"4298","domperidone","Phase2_1-5_n1_n2",200,27,26.59,-0.561643836,"ICaL" +"4299","domperidone","Phase2_1-5_n1_n2",200,27,30.63,4.97260274,"ICaL" +"4300","domperidone","Phase2_1-5_n1_n2",200,27,24.49,-3.438356164,"ICaL" +"4301","domperidone","Phase2_1-5_n1_n2",200,27,19.21,-10.67123288,"ICaL" +"4302","domperidone","Phase2_1-5_n1_n2",200,27,21.27,-7.849315068,"ICaL" +"4303","domperidone","Phase2_1-5_n1_n2",200,27,22.67,-5.931506849,"ICaL" +"4304","domperidone","Phase2_1-5_n1_n2",200,27,32.52,7.561643836,"ICaL" +"4305","domperidone","Phase2_1-5_n1_n2",200,27,33.37,8.726027397,"ICaL" +"4306","domperidone","Phase2_1-5_n1_n2",200,27,26.85,-0.205479452,"ICaL" +"4307","domperidone","Phase2_1-5_n1_n2",200,27,31.37,5.98630137,"ICaL" +"4308","domperidone","Phase2_1-5_n1_n2",200,27,34.33,10.04109589,"ICaL" +"4309","domperidone","Phase2_1-5_n1_n2",200,27,37.62,14.54794521,"ICaL" +"4310","domperidone","Phase2_1-5_n1_n2",2000,27,28.61,2.205479452,"ICaL" +"4311","domperidone","Phase2_1-5_n1_n2",2000,27,10.95,-21.98630137,"ICaL" +"4312","domperidone","Phase2_1-5_n1_n2",2000,27,15,-16.43835616,"ICaL" +"4313","domperidone","Phase2_1-5_n1_n2",2000,27,48.59,29.57534247,"ICaL" +"4314","domperidone","Phase2_1-5_n1_n2",2000,27,25.51,-2.04109589,"ICaL" +"4315","domperidone","Phase2_1-5_n1_n2",2000,27,31.64,6.356164384,"ICaL" +"4316","domperidone","Phase2_1-5_n1_n2",2000,27,32.83,7.98630137,"ICaL" +"4317","domperidone","Phase2_1-5_n1_n2",2000,27,38.93,16.34246575,"ICaL" +"4318","domperidone","Phase2_1-5_n1_n2",2000,27,40.84,18.95890411,"ICaL" +"4319","domperidone","Phase2_1-5_n1_n2",2000,27,42.4,21.09589041,"ICaL" +"4320","domperidone","Phase2_1-5_n1_n2",2000,27,41.93,20.45205479,"ICaL" +"4321","domperidone","Phase2_1-5_n1_n2",2000,27,39.21,16.7260274,"ICaL" +"4322","domperidone","Phase2_1-5_n1_n2",2000,27,37.36,14.19178082,"ICaL" +"4323","domperidone","Phase2_1-5_n1_n2",20000,27,87.64,83.06849315,"ICaL" +"4324","domperidone","Phase2_1-5_n1_n2",20000,27,76.81,68.23287671,"ICaL" +"4325","domperidone","Phase2_1-5_n1_n2",20000,27,60.07,45.30136986,"ICaL" +"4326","domperidone","Phase2_1-5_n1_n2",20000,27,57.46,41.7260274,"ICaL" +"4327","domperidone","Phase2_1-5_n1_n2",20000,27,78.01,69.87671233,"ICaL" +"4328","domperidone","Phase2_1-5_n1_n2",20000,27,61.5,47.26027397,"ICaL" +"4329","domperidone","Phase2_1-5_n1_n2",20000,27,66.77,54.47945205,"ICaL" +"4330","domperidone","Phase2_1-5_n1_n2",20000,27,75.29,66.15068493,"ICaL" +"4331","domperidone","Phase2_1-5_n1_n2",20000,27,65.88,53.26027397,"ICaL" +"4332","domperidone","Phase2_1-5_n1_n2",20000,27,71.25,60.61643836,"ICaL" +"4333","domperidone","Phase2_1-5_n1_n2",20000,27,85.84,80.60273973,"ICaL" +"4334","domperidone","Phase2_1-5_n1_n2",20000,27,84.34,78.54794521,"ICaL" +"4335","domperidone","Phase2_1-5_n1_n2",20000,27,63.47,49.95890411,"ICaL" +"4336","domperidone","Phase2_1-5_n1_n2",20000,27,76.25,67.46575342,"ICaL" +"4337","domperidone","Phase2_1-5_n1_n2",20000,27,75.12,65.91780822,"ICaL" +"4338","vandetanib","Phase2_12-16_n1_n2",30,29,35.87,9.676056338,"ICaL" +"4339","vandetanib","Phase2_12-16_n1_n2",30,29,44.54,21.88732394,"ICaL" +"4340","vandetanib","Phase2_12-16_n1_n2",30,29,42.53,19.05633803,"ICaL" +"4341","vandetanib","Phase2_12-16_n1_n2",30,29,31.63,3.704225352,"ICaL" +"4342","vandetanib","Phase2_12-16_n1_n2",30,29,36.58,10.67605634,"ICaL" +"4343","vandetanib","Phase2_12-16_n1_n2",30,29,31.06,2.901408451,"ICaL" +"4344","vandetanib","Phase2_12-16_n1_n2",30,29,30.12,1.577464789,"ICaL" +"4345","vandetanib","Phase2_12-16_n1_n2",30,29,28.49,-0.718309859,"ICaL" +"4346","vandetanib","Phase2_12-16_n1_n2",30,29,24.58,-6.225352113,"ICaL" +"4347","vandetanib","Phase2_12-16_n1_n2",30,29,30.4,1.971830986,"ICaL" +"4348","vandetanib","Phase2_12-16_n1_n2",30,29,20.81,-11.53521127,"ICaL" +"4349","vandetanib","Phase2_12-16_n1_n2",30,29,14.62,-20.25352113,"ICaL" +"4350","vandetanib","Phase2_12-16_n1_n2",30,29,36.28,10.25352113,"ICaL" +"4351","vandetanib","Phase2_12-16_n1_n2",30,29,20.79,-11.56338028,"ICaL" +"4352","vandetanib","Phase2_12-16_n1_n2",30,29,26.45,-3.591549296,"ICaL" +"4353","vandetanib","Phase2_12-16_n1_n2",30,29,10.51,-26.04225352,"ICaL" +"4354","vandetanib","Phase2_12-16_n1_n2",30,29,18.21,-15.1971831,"ICaL" +"4355","vandetanib","Phase2_12-16_n1_n2",30,29,11.3,-24.92957746,"ICaL" +"4356","vandetanib","Phase2_12-16_n1_n2",30,29,11.58,-24.53521127,"ICaL" +"4357","vandetanib","Phase2_12-16_n1_n2",30,29,30.19,1.676056338,"ICaL" +"4358","vandetanib","Phase2_12-16_n1_n2",300,29,43.7,20.70422535,"ICaL" +"4359","vandetanib","Phase2_12-16_n1_n2",300,29,49.29,28.57746479,"ICaL" +"4360","vandetanib","Phase2_12-16_n1_n2",300,29,34.13,7.225352113,"ICaL" +"4361","vandetanib","Phase2_12-16_n1_n2",300,29,17.81,-15.76056338,"ICaL" +"4362","vandetanib","Phase2_12-16_n1_n2",300,29,29.48,0.676056338,"ICaL" +"4363","vandetanib","Phase2_12-16_n1_n2",300,29,48.53,27.50704225,"ICaL" +"4364","vandetanib","Phase2_12-16_n1_n2",300,29,29.18,0.253521127,"ICaL" +"4365","vandetanib","Phase2_12-16_n1_n2",300,29,18.59,-14.66197183,"ICaL" +"4366","vandetanib","Phase2_12-16_n1_n2",300,29,19.13,-13.90140845,"ICaL" +"4367","vandetanib","Phase2_12-16_n1_n2",300,29,20.66,-11.74647887,"ICaL" +"4368","vandetanib","Phase2_12-16_n1_n2",300,29,27.78,-1.718309859,"ICaL" +"4369","vandetanib","Phase2_12-16_n1_n2",300,29,44.67,22.07042254,"ICaL" +"4370","vandetanib","Phase2_12-16_n1_n2",300,29,24.22,-6.732394366,"ICaL" +"4371","vandetanib","Phase2_12-16_n1_n2",300,29,20.62,-11.8028169,"ICaL" +"4372","vandetanib","Phase2_12-16_n1_n2",300,29,35.79,9.563380282,"ICaL" +"4373","vandetanib","Phase2_12-16_n1_n2",300,29,34.09,7.169014085,"ICaL" +"4374","vandetanib","Phase2_12-16_n1_n2",300,29,23.61,-7.591549296,"ICaL" +"4375","vandetanib","Phase2_12-16_n1_n2",300,29,13.69,-21.56338028,"ICaL" +"4376","vandetanib","Phase2_12-16_n1_n2",3000,29,50.02,29.6056338,"ICaL" +"4377","vandetanib","Phase2_12-16_n1_n2",3000,29,33.89,6.887323944,"ICaL" +"4378","vandetanib","Phase2_12-16_n1_n2",3000,29,36.49,10.54929577,"ICaL" +"4379","vandetanib","Phase2_12-16_n1_n2",3000,29,35.62,9.323943662,"ICaL" +"4380","vandetanib","Phase2_12-16_n1_n2",3000,29,32.99,5.61971831,"ICaL" +"4381","vandetanib","Phase2_12-16_n1_n2",3000,29,54.61,36.07042254,"ICaL" +"4382","vandetanib","Phase2_12-16_n1_n2",3000,29,55.61,37.47887324,"ICaL" +"4383","vandetanib","Phase2_12-16_n1_n2",3000,29,50.34,30.05633803,"ICaL" +"4384","vandetanib","Phase2_12-16_n1_n2",3000,29,48,26.76056338,"ICaL" +"4385","vandetanib","Phase2_12-16_n1_n2",3000,29,57.65,40.35211268,"ICaL" +"4386","vandetanib","Phase2_12-16_n1_n2",3000,29,46.93,25.25352113,"ICaL" +"4387","vandetanib","Phase2_12-16_n1_n2",3000,29,37.11,11.42253521,"ICaL" +"4388","vandetanib","Phase2_12-16_n1_n2",3000,29,52,32.3943662,"ICaL" +"4389","vandetanib","Phase2_12-16_n1_n2",3000,29,47.7,26.33802817,"ICaL" +"4390","vandetanib","Phase2_12-16_n1_n2",3000,29,44.62,22,"ICaL" +"4391","vandetanib","Phase2_12-16_n1_n2",3000,29,46.71,24.94366197,"ICaL" +"4392","vandetanib","Phase2_12-16_n1_n2",16800,29,99.66,99.52112676,"ICaL" +"4393","vandetanib","Phase2_12-16_n1_n2",16800,29,103.79,105.3380282,"ICaL" +"4394","vandetanib","Phase2_12-16_n1_n2",16800,29,101.6,102.2535211,"ICaL" +"4395","vandetanib","Phase2_12-16_n1_n2",16800,29,93.01,90.15492958,"ICaL" +"4396","vandetanib","Phase2_12-16_n1_n2",16800,29,102.45,103.4507042,"ICaL" +"4397","vandetanib","Phase2_12-16_n1_n2",16800,29,73.41,62.54929577,"ICaL" +"4398","vandetanib","Phase2_12-16_n1_n2",16800,29,99.47,99.25352113,"ICaL" +"4399","vandetanib","Phase2_12-16_n1_n2",16800,29,102.19,103.084507,"ICaL" +"4400","vandetanib","Phase2_12-16_n1_n2",16800,29,97.93,97.08450704,"ICaL" +"4401","vandetanib","Phase2_12-16_n1_n2",16800,29,93.11,90.29577465,"ICaL" +"4402","vandetanib","Phase2_12-16_n1_n2",16800,29,97.29,96.18309859,"ICaL" +"4403","vandetanib","Phase2_12-16_n1_n2",16800,29,96.28,94.76056338,"ICaL" +"4404","vandetanib","Phase2_12-16_n1_n2",16800,29,90.29,86.32394366,"ICaL" +"4405","vandetanib","Phase2_12-16_n1_n2",16800,29,98.22,97.49295775,"ICaL" +"4406","vandetanib","Phase2_12-16_n1_n2",16800,29,100.11,100.1549296,"ICaL" +"4407","vandetanib","Phase2_12-16_n1_n2",16800,29,97.52,96.50704225,"ICaL" +"4408","vandetanib","Phase2_12-16_n1_n2",16800,29,88.88,84.33802817,"ICaL" +"4409","tamoxifen","Phase2_12-16_n1_n2",21,29,14.82,-19.97183099,"ICaL" +"4410","tamoxifen","Phase2_12-16_n1_n2",21,29,10.11,-26.6056338,"ICaL" +"4411","tamoxifen","Phase2_12-16_n1_n2",21,29,35.54,9.211267606,"ICaL" +"4412","tamoxifen","Phase2_12-16_n1_n2",21,29,15.99,-18.32394366,"ICaL" +"4413","tamoxifen","Phase2_12-16_n1_n2",21,29,33.5,6.338028169,"ICaL" +"4414","tamoxifen","Phase2_12-16_n1_n2",21,29,28.59,-0.577464789,"ICaL" +"4415","tamoxifen","Phase2_12-16_n1_n2",21,29,32.9,5.492957746,"ICaL" +"4416","tamoxifen","Phase2_12-16_n1_n2",21,29,17.77,-15.81690141,"ICaL" +"4417","tamoxifen","Phase2_12-16_n1_n2",21,29,38.76,13.74647887,"ICaL" +"4418","tamoxifen","Phase2_12-16_n1_n2",21,29,34.92,8.338028169,"ICaL" +"4419","tamoxifen","Phase2_12-16_n1_n2",21,29,35.69,9.422535211,"ICaL" +"4420","tamoxifen","Phase2_12-16_n1_n2",210,29,36.68,10.81690141,"ICaL" +"4421","tamoxifen","Phase2_12-16_n1_n2",210,29,20.33,-12.21126761,"ICaL" +"4422","tamoxifen","Phase2_12-16_n1_n2",210,29,43.44,20.33802817,"ICaL" +"4423","tamoxifen","Phase2_12-16_n1_n2",210,29,43.96,21.07042254,"ICaL" +"4424","tamoxifen","Phase2_12-16_n1_n2",210,29,21.91,-9.985915493,"ICaL" +"4425","tamoxifen","Phase2_12-16_n1_n2",210,29,28.15,-1.197183099,"ICaL" +"4426","tamoxifen","Phase2_12-16_n1_n2",210,29,23.55,-7.676056338,"ICaL" +"4427","tamoxifen","Phase2_12-16_n1_n2",210,29,18.23,-15.16901408,"ICaL" +"4428","tamoxifen","Phase2_12-16_n1_n2",210,29,18.09,-15.36619718,"ICaL" +"4429","tamoxifen","Phase2_12-16_n1_n2",210,29,37.21,11.56338028,"ICaL" +"4430","tamoxifen","Phase2_12-16_n1_n2",210,29,17.66,-15.97183099,"ICaL" +"4431","tamoxifen","Phase2_12-16_n1_n2",210,29,40.52,16.22535211,"ICaL" +"4432","tamoxifen","Phase2_12-16_n1_n2",210,29,27.36,-2.309859155,"ICaL" +"4433","tamoxifen","Phase2_12-16_n1_n2",210,29,25.14,-5.436619718,"ICaL" +"4434","tamoxifen","Phase2_12-16_n1_n2",210,29,39.47,14.74647887,"ICaL" +"4435","tamoxifen","Phase2_12-16_n1_n2",210,29,22.16,-9.633802817,"ICaL" +"4436","tamoxifen","Phase2_12-16_n1_n2",210,29,19.65,-13.16901408,"ICaL" +"4437","tamoxifen","Phase2_12-16_n1_n2",210,29,17.14,-16.70422535,"ICaL" +"4438","tamoxifen","Phase2_12-16_n1_n2",2100,29,62.27,46.85915493,"ICaL" +"4439","tamoxifen","Phase2_12-16_n1_n2",2100,29,49.98,29.54929577,"ICaL" +"4440","tamoxifen","Phase2_12-16_n1_n2",2100,29,41.67,17.84507042,"ICaL" +"4441","tamoxifen","Phase2_12-16_n1_n2",2100,29,47.31,25.78873239,"ICaL" +"4442","tamoxifen","Phase2_12-16_n1_n2",2100,29,50.33,30.04225352,"ICaL" +"4443","tamoxifen","Phase2_12-16_n1_n2",2100,29,40.33,15.95774648,"ICaL" +"4444","tamoxifen","Phase2_12-16_n1_n2",2100,29,46.5,24.64788732,"ICaL" +"4445","tamoxifen","Phase2_12-16_n1_n2",2100,29,44.89,22.38028169,"ICaL" +"4446","tamoxifen","Phase2_12-16_n1_n2",2100,29,38.27,13.05633803,"ICaL" +"4447","tamoxifen","Phase2_12-16_n1_n2",2100,29,50.1,29.71830986,"ICaL" +"4448","tamoxifen","Phase2_12-16_n1_n2",2100,29,38.15,12.88732394,"ICaL" +"4449","tamoxifen","Phase2_12-16_n1_n2",2100,29,44.25,21.47887324,"ICaL" +"4450","tamoxifen","Phase2_12-16_n1_n2",2100,29,47.27,25.73239437,"ICaL" +"4451","tamoxifen","Phase2_12-16_n1_n2",2100,29,61.24,45.4084507,"ICaL" +"4452","tamoxifen","Phase2_12-16_n1_n2",2100,29,61.66,46,"ICaL" +"4453","tamoxifen","Phase2_12-16_n1_n2",2100,29,41.26,17.26760563,"ICaL" +"4454","tamoxifen","Phase2_12-16_n1_n2",2100,29,35.99,9.845070423,"ICaL" +"4455","tamoxifen","Phase2_12-16_n1_n2",2100,29,49.36,28.67605634,"ICaL" +"4456","tamoxifen","Phase2_12-16_n1_n2",2100,29,52.27,32.77464789,"ICaL" +"4457","tamoxifen","Phase2_12-16_n1_n2",2100,29,41.67,17.84507042,"ICaL" +"4458","tamoxifen","Phase2_12-16_n1_n2",2100,29,37.21,11.56338028,"ICaL" +"4459","tamoxifen","Phase2_12-16_n1_n2",2100,29,46.51,24.66197183,"ICaL" +"4460","tamoxifen","Phase2_12-16_n1_n2",10000,29,101.05,101.4788732,"ICaL" +"4461","tamoxifen","Phase2_12-16_n1_n2",10000,29,96.39,94.91549296,"ICaL" +"4462","tamoxifen","Phase2_12-16_n1_n2",10000,29,94.54,92.30985915,"ICaL" +"4463","tamoxifen","Phase2_12-16_n1_n2",10000,29,98.29,97.5915493,"ICaL" +"4464","tamoxifen","Phase2_12-16_n1_n2",10000,29,100.7,100.9859155,"ICaL" +"4465","tamoxifen","Phase2_12-16_n1_n2",10000,29,98.48,97.85915493,"ICaL" +"4466","tamoxifen","Phase2_12-16_n1_n2",10000,29,99.3,99.01408451,"ICaL" +"4467","tamoxifen","Phase2_12-16_n1_n2",10000,29,97.8,96.90140845,"ICaL" +"4468","tamoxifen","Phase2_12-16_n1_n2",10000,29,98.89,98.43661972,"ICaL" +"4469","tamoxifen","Phase2_12-16_n1_n2",10000,29,97.52,96.50704225,"ICaL" +"4470","tamoxifen","Phase2_12-16_n1_n2",10000,29,99.7,99.57746479,"ICaL" +"4471","tamoxifen","Phase2_12-16_n1_n2",10000,29,100.47,100.6619718,"ICaL" +"4472","tamoxifen","Phase2_12-16_n1_n2",10000,29,95.95,94.29577465,"ICaL" +"4473","tamoxifen","Phase2_12-16_n1_n2",10000,29,104.53,106.3802817,"ICaL" +"4474","tamoxifen","Phase2_12-16_n1_n2",10000,29,94.91,92.83098592,"ICaL" +"4475","tamoxifen","Phase2_12-16_n1_n2",10000,29,102.45,103.4507042,"ICaL" +"4476","tamoxifen","Phase2_12-16_n1_n2",10000,29,109.7,113.6619718,"ICaL" +"4477","tamoxifen","Phase2_12-16_n1_n2",10000,29,100.19,100.2676056,"ICaL" +"4478","tamoxifen","Phase2_12-16_n1_n2",10000,29,100.85,101.1971831,"ICaL" +"4479","tamoxifen","Phase2_12-16_n1_n2",10000,29,97.35,96.26760563,"ICaL" +"4480","tamoxifen","Phase2_12-16_n1_n2",10000,29,99.01,98.6056338,"ICaL" +"4481","tamoxifen","Phase2_12-16_n1_n2",10000,29,99.94,99.91549296,"ICaL" +"4482","tamoxifen","Phase2_12-16_n1_n2",10000,29,94.17,91.78873239,"ICaL" +"4483","tamoxifen","Phase2_12-16_n1_n2",10000,29,99.04,98.64788732,"ICaL" +"4484","risperidone","Phase2_12-16_n1_n2",2,29,20.86,-11.46478873,"ICaL" +"4485","risperidone","Phase2_12-16_n1_n2",2,29,36.17,10.09859155,"ICaL" +"4486","risperidone","Phase2_12-16_n1_n2",2,29,20.46,-12.02816901,"ICaL" +"4487","risperidone","Phase2_12-16_n1_n2",2,29,23.62,-7.577464789,"ICaL" +"4488","risperidone","Phase2_12-16_n1_n2",2,29,21.09,-11.14084507,"ICaL" +"4489","risperidone","Phase2_12-16_n1_n2",2,29,42.61,19.16901408,"ICaL" +"4490","risperidone","Phase2_12-16_n1_n2",2,29,39.04,14.14084507,"ICaL" +"4491","risperidone","Phase2_12-16_n1_n2",2,29,31.26,3.183098592,"ICaL" +"4492","risperidone","Phase2_12-16_n1_n2",2,29,33.76,6.704225352,"ICaL" +"4493","risperidone","Phase2_12-16_n1_n2",2,29,33.94,6.957746479,"ICaL" +"4494","risperidone","Phase2_12-16_n1_n2",2,29,40,15.49295775,"ICaL" +"4495","risperidone","Phase2_12-16_n1_n2",2,29,18.13,-15.30985915,"ICaL" +"4496","risperidone","Phase2_12-16_n1_n2",2,29,34.07,7.14084507,"ICaL" +"4497","risperidone","Phase2_12-16_n1_n2",2,29,40.99,16.88732394,"ICaL" +"4498","risperidone","Phase2_12-16_n1_n2",2,29,22.45,-9.225352113,"ICaL" +"4499","risperidone","Phase2_12-16_n1_n2",2,29,27.47,-2.154929577,"ICaL" +"4500","risperidone","Phase2_12-16_n1_n2",2,29,17.35,-16.4084507,"ICaL" +"4501","risperidone","Phase2_12-16_n1_n2",2,29,22.67,-8.915492958,"ICaL" +"4502","risperidone","Phase2_12-16_n1_n2",20,29,22.7,-8.873239437,"ICaL" +"4503","risperidone","Phase2_12-16_n1_n2",20,29,41.08,17.01408451,"ICaL" +"4504","risperidone","Phase2_12-16_n1_n2",20,29,32.63,5.112676056,"ICaL" +"4505","risperidone","Phase2_12-16_n1_n2",20,29,29.08,0.112676056,"ICaL" +"4506","risperidone","Phase2_12-16_n1_n2",20,29,14.17,-20.88732394,"ICaL" +"4507","risperidone","Phase2_12-16_n1_n2",20,29,30.35,1.901408451,"ICaL" +"4508","risperidone","Phase2_12-16_n1_n2",20,29,30.12,1.577464789,"ICaL" +"4509","risperidone","Phase2_12-16_n1_n2",20,29,19.15,-13.87323944,"ICaL" +"4510","risperidone","Phase2_12-16_n1_n2",20,29,24.75,-5.985915493,"ICaL" +"4511","risperidone","Phase2_12-16_n1_n2",20,29,19.03,-14.04225352,"ICaL" +"4512","risperidone","Phase2_12-16_n1_n2",20,29,43.26,20.08450704,"ICaL" +"4513","risperidone","Phase2_12-16_n1_n2",20,29,34.21,7.338028169,"ICaL" +"4514","risperidone","Phase2_12-16_n1_n2",20,29,41.67,17.84507042,"ICaL" +"4515","risperidone","Phase2_12-16_n1_n2",20,29,26.89,-2.971830986,"ICaL" +"4516","risperidone","Phase2_12-16_n1_n2",20,29,38.49,13.36619718,"ICaL" +"4517","risperidone","Phase2_12-16_n1_n2",20,29,38.24,13.01408451,"ICaL" +"4518","risperidone","Phase2_12-16_n1_n2",20,29,28.3,-0.985915493,"ICaL" +"4519","risperidone","Phase2_12-16_n1_n2",20,29,27.83,-1.647887324,"ICaL" +"4520","risperidone","Phase2_12-16_n1_n2",200,29,12.86,-22.73239437,"ICaL" +"4521","risperidone","Phase2_12-16_n1_n2",200,29,39.37,14.6056338,"ICaL" +"4522","risperidone","Phase2_12-16_n1_n2",200,29,18.3,-15.07042254,"ICaL" +"4523","risperidone","Phase2_12-16_n1_n2",200,29,22.06,-9.774647887,"ICaL" +"4524","risperidone","Phase2_12-16_n1_n2",200,29,21.39,-10.71830986,"ICaL" +"4525","risperidone","Phase2_12-16_n1_n2",200,29,27.5,-2.112676056,"ICaL" +"4526","risperidone","Phase2_12-16_n1_n2",200,29,16.06,-18.22535211,"ICaL" +"4527","risperidone","Phase2_12-16_n1_n2",200,29,35.73,9.478873239,"ICaL" +"4528","risperidone","Phase2_12-16_n1_n2",200,29,30.12,1.577464789,"ICaL" +"4529","risperidone","Phase2_12-16_n1_n2",200,29,23.51,-7.732394366,"ICaL" +"4530","risperidone","Phase2_12-16_n1_n2",200,29,22.42,-9.267605634,"ICaL" +"4531","risperidone","Phase2_12-16_n1_n2",200,29,27.9,-1.549295775,"ICaL" +"4532","risperidone","Phase2_12-16_n1_n2",200,29,19.79,-12.97183099,"ICaL" +"4533","risperidone","Phase2_12-16_n1_n2",200,29,30.09,1.535211268,"ICaL" +"4534","risperidone","Phase2_12-16_n1_n2",200,29,27.44,-2.197183099,"ICaL" +"4535","risperidone","Phase2_12-16_n1_n2",200,29,24.59,-6.211267606,"ICaL" +"4536","risperidone","Phase2_12-16_n1_n2",200,29,26.72,-3.211267606,"ICaL" +"4537","risperidone","Phase2_12-16_n1_n2",200,29,32.61,5.084507042,"ICaL" +"4538","risperidone","Phase2_12-16_n1_n2",200,29,39.63,14.97183099,"ICaL" +"4539","risperidone","Phase2_12-16_n1_n2",200,29,30.69,2.38028169,"ICaL" +"4540","risperidone","Phase2_12-16_n1_n2",2000,29,28.41,-0.830985915,"ICaL" +"4541","risperidone","Phase2_12-16_n1_n2",2000,29,40.03,15.53521127,"ICaL" +"4542","risperidone","Phase2_12-16_n1_n2",2000,29,39.52,14.81690141,"ICaL" +"4543","risperidone","Phase2_12-16_n1_n2",2000,29,33.13,5.816901408,"ICaL" +"4544","risperidone","Phase2_12-16_n1_n2",2000,29,36.94,11.18309859,"ICaL" +"4545","risperidone","Phase2_12-16_n1_n2",2000,29,9.39,-27.61971831,"ICaL" +"4546","risperidone","Phase2_12-16_n1_n2",2000,29,13.31,-22.09859155,"ICaL" +"4547","risperidone","Phase2_12-16_n1_n2",2000,29,25.85,-4.436619718,"ICaL" +"4548","risperidone","Phase2_12-16_n1_n2",2000,29,23.12,-8.281690141,"ICaL" +"4549","risperidone","Phase2_12-16_n1_n2",2000,29,28.29,-1,"ICaL" +"4550","risperidone","Phase2_12-16_n1_n2",2000,29,31.73,3.845070423,"ICaL" +"4551","risperidone","Phase2_12-16_n1_n2",2000,29,23.91,-7.169014085,"ICaL" +"4552","risperidone","Phase2_12-16_n1_n2",2000,29,38.28,13.07042254,"ICaL" +"4553","risperidone","Phase2_12-16_n1_n2",2000,29,20.7,-11.69014085,"ICaL" +"4554","risperidone","Phase2_12-16_n1_n2",2000,29,19.11,-13.92957746,"ICaL" +"4555","risperidone","Phase2_12-16_n1_n2",2000,29,27.21,-2.521126761,"ICaL" +"4556","risperidone","Phase2_12-16_n1_n2",2000,29,31.8,3.943661972,"ICaL" +"4557","risperidone","Phase2_12-16_n1_n2",2000,29,36.19,10.12676056,"ICaL" +"4558","risperidone","Phase2_12-16_n1_n2",2000,29,33.04,5.690140845,"ICaL" +"4559","risperidone","Phase2_12-16_n1_n2",2000,29,23.41,-7.873239437,"ICaL" +"4560","azimilide","Phase2_12-16_n1_n2",30,29,22.44,-9.23943662,"ICaL" +"4561","azimilide","Phase2_12-16_n1_n2",30,29,20.65,-11.76056338,"ICaL" +"4562","azimilide","Phase2_12-16_n1_n2",30,29,27.9,-1.549295775,"ICaL" +"4563","azimilide","Phase2_12-16_n1_n2",30,29,29.89,1.253521127,"ICaL" +"4564","azimilide","Phase2_12-16_n1_n2",30,29,23.24,-8.112676056,"ICaL" +"4565","azimilide","Phase2_12-16_n1_n2",30,29,17.18,-16.64788732,"ICaL" +"4566","azimilide","Phase2_12-16_n1_n2",30,29,43.6,20.56338028,"ICaL" +"4567","azimilide","Phase2_12-16_n1_n2",30,29,24.56,-6.253521127,"ICaL" +"4568","azimilide","Phase2_12-16_n1_n2",30,29,16.11,-18.15492958,"ICaL" +"4569","azimilide","Phase2_12-16_n1_n2",30,29,33.91,6.915492958,"ICaL" +"4570","azimilide","Phase2_12-16_n1_n2",30,29,28.1,-1.267605634,"ICaL" +"4571","azimilide","Phase2_12-16_n1_n2",30,29,24.1,-6.901408451,"ICaL" +"4572","azimilide","Phase2_12-16_n1_n2",30,29,14.35,-20.63380282,"ICaL" +"4573","azimilide","Phase2_12-16_n1_n2",30,29,33.37,6.154929577,"ICaL" +"4574","azimilide","Phase2_12-16_n1_n2",30,29,22.22,-9.549295775,"ICaL" +"4575","azimilide","Phase2_12-16_n1_n2",30,29,30.24,1.746478873,"ICaL" +"4576","azimilide","Phase2_12-16_n1_n2",30,29,43.24,20.05633803,"ICaL" +"4577","azimilide","Phase2_12-16_n1_n2",30,29,16.49,-17.61971831,"ICaL" +"4578","azimilide","Phase2_12-16_n1_n2",30,29,26.77,-3.14084507,"ICaL" +"4579","azimilide","Phase2_12-16_n1_n2",300,29,36.85,11.05633803,"ICaL" +"4580","azimilide","Phase2_12-16_n1_n2",300,29,31.53,3.563380282,"ICaL" +"4581","azimilide","Phase2_12-16_n1_n2",300,29,19.56,-13.29577465,"ICaL" +"4582","azimilide","Phase2_12-16_n1_n2",300,29,29.26,0.366197183,"ICaL" +"4583","azimilide","Phase2_12-16_n1_n2",300,29,23.4,-7.887323944,"ICaL" +"4584","azimilide","Phase2_12-16_n1_n2",300,29,19.42,-13.49295775,"ICaL" +"4585","azimilide","Phase2_12-16_n1_n2",300,29,29.42,0.591549296,"ICaL" +"4586","azimilide","Phase2_12-16_n1_n2",300,29,20.13,-12.49295775,"ICaL" +"4587","azimilide","Phase2_12-16_n1_n2",300,29,31.03,2.85915493,"ICaL" +"4588","azimilide","Phase2_12-16_n1_n2",300,29,39.11,14.23943662,"ICaL" +"4589","azimilide","Phase2_12-16_n1_n2",300,29,17.56,-16.11267606,"ICaL" +"4590","azimilide","Phase2_12-16_n1_n2",300,29,47.64,26.25352113,"ICaL" +"4591","azimilide","Phase2_12-16_n1_n2",300,29,34.65,7.957746479,"ICaL" +"4592","azimilide","Phase2_12-16_n1_n2",300,29,28.23,-1.084507042,"ICaL" +"4593","azimilide","Phase2_12-16_n1_n2",300,29,20.47,-12.01408451,"ICaL" +"4594","azimilide","Phase2_12-16_n1_n2",300,29,22.96,-8.507042254,"ICaL" +"4595","azimilide","Phase2_12-16_n1_n2",3000,29,21.52,-10.53521127,"ICaL" +"4596","azimilide","Phase2_12-16_n1_n2",3000,29,26.84,-3.042253521,"ICaL" +"4597","azimilide","Phase2_12-16_n1_n2",3000,29,45.56,23.32394366,"ICaL" +"4598","azimilide","Phase2_12-16_n1_n2",3000,29,38.6,13.52112676,"ICaL" +"4599","azimilide","Phase2_12-16_n1_n2",3000,29,38.63,13.56338028,"ICaL" +"4600","azimilide","Phase2_12-16_n1_n2",3000,29,25.81,-4.492957746,"ICaL" +"4601","azimilide","Phase2_12-16_n1_n2",3000,29,38.26,13.04225352,"ICaL" +"4602","azimilide","Phase2_12-16_n1_n2",3000,29,38.42,13.26760563,"ICaL" +"4603","azimilide","Phase2_12-16_n1_n2",3000,29,38.42,13.26760563,"ICaL" +"4604","azimilide","Phase2_12-16_n1_n2",3000,29,22.25,-9.507042254,"ICaL" +"4605","azimilide","Phase2_12-16_n1_n2",3000,29,39.51,14.8028169,"ICaL" +"4606","azimilide","Phase2_12-16_n1_n2",3000,29,38.06,12.76056338,"ICaL" +"4607","azimilide","Phase2_12-16_n1_n2",3000,29,21.74,-10.22535211,"ICaL" +"4608","azimilide","Phase2_12-16_n1_n2",3000,29,34.2,7.323943662,"ICaL" +"4609","azimilide","Phase2_12-16_n1_n2",3000,29,19.49,-13.3943662,"ICaL" +"4610","azimilide","Phase2_12-16_n1_n2",3000,29,37.76,12.33802817,"ICaL" +"4611","azimilide","Phase2_12-16_n1_n2",3000,29,39.24,14.42253521,"ICaL" +"4612","azimilide","Phase2_12-16_n1_n2",3000,29,44.94,22.45070423,"ICaL" +"4613","azimilide","Phase2_12-16_n1_n2",3000,29,24.18,-6.788732394,"ICaL" +"4614","azimilide","Phase2_12-16_n1_n2",3000,29,49.12,28.33802817,"ICaL" +"4615","azimilide","Phase2_12-16_n1_n2",3000,29,23.14,-8.253521127,"ICaL" +"4616","azimilide","Phase2_12-16_n1_n2",3000,29,29.91,1.281690141,"ICaL" +"4617","azimilide","Phase2_12-16_n1_n2",18000,29,64.63,50.18309859,"ICaL" +"4618","azimilide","Phase2_12-16_n1_n2",18000,29,66.82,53.26760563,"ICaL" +"4619","azimilide","Phase2_12-16_n1_n2",18000,29,72.81,61.70422535,"ICaL" +"4620","azimilide","Phase2_12-16_n1_n2",18000,29,82.94,75.97183099,"ICaL" +"4621","azimilide","Phase2_12-16_n1_n2",18000,29,74.46,64.02816901,"ICaL" +"4622","azimilide","Phase2_12-16_n1_n2",18000,29,57.12,39.6056338,"ICaL" +"4623","azimilide","Phase2_12-16_n1_n2",18000,29,64.35,49.78873239,"ICaL" +"4624","azimilide","Phase2_12-16_n1_n2",18000,29,72.8,61.69014085,"ICaL" +"4625","azimilide","Phase2_12-16_n1_n2",18000,29,72.59,61.3943662,"ICaL" +"4626","azimilide","Phase2_12-16_n1_n2",18000,29,53.55,34.57746479,"ICaL" +"4627","azimilide","Phase2_12-16_n1_n2",18000,29,75.65,65.70422535,"ICaL" +"4628","azimilide","Phase2_12-16_n1_n2",18000,29,59.05,42.32394366,"ICaL" +"4629","azimilide","Phase2_12-16_n1_n2",18000,29,65.49,51.3943662,"ICaL" +"4630","azimilide","Phase2_12-16_n1_n2",18000,29,67.95,54.85915493,"ICaL" +"4631","azimilide","Phase2_12-16_n1_n2",18000,29,88.04,83.15492958,"ICaL" +"4632","azimilide","Phase2_12-16_n1_n2",18000,29,81.47,73.90140845,"ICaL" +"4633","azimilide","Phase2_12-16_n1_n2",18000,29,74.22,63.69014085,"ICaL" +"4634","azimilide","Phase2_12-16_n1_n2",18000,29,75.17,65.02816901,"ICaL" +"4635","azimilide","Phase2_12-16_n1_n2",18000,29,77.79,68.71830986,"ICaL" +"4636","astemizole","Phase2_12-16_n1_n2",0.3,29,11.96,-24,"ICaL" +"4637","astemizole","Phase2_12-16_n1_n2",0.3,29,26.27,-3.845070423,"ICaL" +"4638","astemizole","Phase2_12-16_n1_n2",0.3,29,39.54,14.84507042,"ICaL" +"4639","astemizole","Phase2_12-16_n1_n2",0.3,29,33.82,6.788732394,"ICaL" +"4640","astemizole","Phase2_12-16_n1_n2",0.3,29,13.88,-21.29577465,"ICaL" +"4641","astemizole","Phase2_12-16_n1_n2",0.3,29,32.13,4.408450704,"ICaL" +"4642","astemizole","Phase2_12-16_n1_n2",0.3,29,32.06,4.309859155,"ICaL" +"4643","astemizole","Phase2_12-16_n1_n2",0.3,29,37.28,11.66197183,"ICaL" +"4644","astemizole","Phase2_12-16_n1_n2",0.3,29,33.24,5.971830986,"ICaL" +"4645","astemizole","Phase2_12-16_n1_n2",0.3,29,34.05,7.112676056,"ICaL" +"4646","astemizole","Phase2_12-16_n1_n2",0.3,29,30.59,2.23943662,"ICaL" +"4647","astemizole","Phase2_12-16_n1_n2",0.3,29,25.76,-4.563380282,"ICaL" +"4648","astemizole","Phase2_12-16_n1_n2",0.3,29,29.07,0.098591549,"ICaL" +"4649","astemizole","Phase2_12-16_n1_n2",0.3,29,35.98,9.830985915,"ICaL" +"4650","astemizole","Phase2_12-16_n1_n2",0.3,29,26.4,-3.661971831,"ICaL" +"4651","astemizole","Phase2_12-16_n1_n2",0.3,29,22.64,-8.957746479,"ICaL" +"4652","astemizole","Phase2_12-16_n1_n2",0.3,29,18.44,-14.87323944,"ICaL" +"4653","astemizole","Phase2_12-16_n1_n2",3,29,17.04,-16.84507042,"ICaL" +"4654","astemizole","Phase2_12-16_n1_n2",3,29,14.05,-21.05633803,"ICaL" +"4655","astemizole","Phase2_12-16_n1_n2",3,29,42.09,18.43661972,"ICaL" +"4656","astemizole","Phase2_12-16_n1_n2",3,29,21.47,-10.6056338,"ICaL" +"4657","astemizole","Phase2_12-16_n1_n2",3,29,46.98,25.32394366,"ICaL" +"4658","astemizole","Phase2_12-16_n1_n2",3,29,21.02,-11.23943662,"ICaL" +"4659","astemizole","Phase2_12-16_n1_n2",3,29,14.06,-21.04225352,"ICaL" +"4660","astemizole","Phase2_12-16_n1_n2",3,29,25.17,-5.394366197,"ICaL" +"4661","astemizole","Phase2_12-16_n1_n2",3,29,26.42,-3.633802817,"ICaL" +"4662","astemizole","Phase2_12-16_n1_n2",3,29,20.34,-12.1971831,"ICaL" +"4663","astemizole","Phase2_12-16_n1_n2",3,29,30.58,2.225352113,"ICaL" +"4664","astemizole","Phase2_12-16_n1_n2",3,29,17.66,-15.97183099,"ICaL" +"4665","astemizole","Phase2_12-16_n1_n2",3,29,34.36,7.549295775,"ICaL" +"4666","astemizole","Phase2_12-16_n1_n2",3,29,13.69,-21.56338028,"ICaL" +"4667","astemizole","Phase2_12-16_n1_n2",3,29,39.34,14.56338028,"ICaL" +"4668","astemizole","Phase2_12-16_n1_n2",3,29,13.62,-21.66197183,"ICaL" +"4669","astemizole","Phase2_12-16_n1_n2",3,29,20.15,-12.46478873,"ICaL" +"4670","astemizole","Phase2_12-16_n1_n2",3,29,18.59,-14.66197183,"ICaL" +"4671","astemizole","Phase2_12-16_n1_n2",3,29,11.13,-25.16901408,"ICaL" +"4672","astemizole","Phase2_12-16_n1_n2",3,29,24.43,-6.436619718,"ICaL" +"4673","astemizole","Phase2_12-16_n1_n2",3,29,22.41,-9.281690141,"ICaL" +"4674","astemizole","Phase2_12-16_n1_n2",3,29,34.51,7.76056338,"ICaL" +"4675","astemizole","Phase2_12-16_n1_n2",3,29,33.65,6.549295775,"ICaL" +"4676","astemizole","Phase2_12-16_n1_n2",300,29,38.44,13.29577465,"ICaL" +"4677","astemizole","Phase2_12-16_n1_n2",300,29,27.91,-1.535211268,"ICaL" +"4678","astemizole","Phase2_12-16_n1_n2",300,29,36.27,10.23943662,"ICaL" +"4679","astemizole","Phase2_12-16_n1_n2",300,29,29.41,0.577464789,"ICaL" +"4680","astemizole","Phase2_12-16_n1_n2",300,29,25.24,-5.295774648,"ICaL" +"4681","astemizole","Phase2_12-16_n1_n2",300,29,44.8,22.25352113,"ICaL" +"4682","astemizole","Phase2_12-16_n1_n2",300,29,25.85,-4.436619718,"ICaL" +"4683","astemizole","Phase2_12-16_n1_n2",300,29,33.32,6.084507042,"ICaL" +"4684","astemizole","Phase2_12-16_n1_n2",300,29,47.18,25.6056338,"ICaL" +"4685","astemizole","Phase2_12-16_n1_n2",300,29,23.79,-7.338028169,"ICaL" +"4686","astemizole","Phase2_12-16_n1_n2",300,29,27.1,-2.676056338,"ICaL" +"4687","astemizole","Phase2_12-16_n1_n2",300,29,20.51,-11.95774648,"ICaL" +"4688","astemizole","Phase2_12-16_n1_n2",300,29,25.75,-4.577464789,"ICaL" +"4689","astemizole","Phase2_12-16_n1_n2",300,29,30.91,2.690140845,"ICaL" +"4690","astemizole","Phase2_12-16_n1_n2",300,29,41.6,17.74647887,"ICaL" +"4691","astemizole","Phase2_12-16_n1_n2",300,29,37.63,12.15492958,"ICaL" +"4692","astemizole","Phase2_12-16_n1_n2",300,29,24.79,-5.929577465,"ICaL" +"4693","astemizole","Phase2_12-16_n1_n2",300,29,32.72,5.23943662,"ICaL" +"4694","astemizole","Phase2_12-16_n1_n2",300,29,32.93,5.535211268,"ICaL" +"4695","astemizole","Phase2_12-16_n1_n2",300,29,20.78,-11.57746479,"ICaL" +"4696","astemizole","Phase2_12-16_n1_n2",300,29,39.12,14.25352113,"ICaL" +"4697","astemizole","Phase2_12-16_n1_n2",300,29,32.12,4.394366197,"ICaL" +"4698","astemizole","Phase2_12-16_n1_n2",3000,29,96.5,95.07042254,"ICaL" +"4699","astemizole","Phase2_12-16_n1_n2",3000,29,101.53,102.1549296,"ICaL" +"4700","astemizole","Phase2_12-16_n1_n2",3000,29,94.75,92.6056338,"ICaL" +"4701","astemizole","Phase2_12-16_n1_n2",3000,29,95.07,93.05633803,"ICaL" +"4702","astemizole","Phase2_12-16_n1_n2",3000,29,94.25,91.90140845,"ICaL" +"4703","astemizole","Phase2_12-16_n1_n2",3000,29,97.3,96.1971831,"ICaL" +"4704","astemizole","Phase2_12-16_n1_n2",3000,29,91.49,88.01408451,"ICaL" +"4705","astemizole","Phase2_12-16_n1_n2",3000,29,97.29,96.18309859,"ICaL" +"4706","astemizole","Phase2_12-16_n1_n2",3000,29,98.06,97.26760563,"ICaL" +"4707","astemizole","Phase2_12-16_n1_n2",3000,29,96.52,95.09859155,"ICaL" +"4708","astemizole","Phase2_12-16_n1_n2",3000,29,97.61,96.63380282,"ICaL" +"4709","astemizole","Phase2_12-16_n1_n2",3000,29,95.36,93.46478873,"ICaL" +"4710","astemizole","Phase2_12-16_n1_n2",3000,29,93.96,91.49295775,"ICaL" +"4711","astemizole","Phase2_12-16_n1_n2",3000,29,97.76,96.84507042,"ICaL" +"4712","astemizole","Phase2_12-16_n1_n2",3000,29,96.95,95.70422535,"ICaL" +"4713","astemizole","Phase2_12-16_n1_n2",3000,29,96.29,94.77464789,"ICaL" +"4714","nifedipine","Phase2_6-11_n1",7.7,19,62.49,53.69135802,"ICaL" +"4715","nifedipine","Phase2_6-11_n1",7.7,19,66.36,58.4691358,"ICaL" +"4716","nifedipine","Phase2_6-11_n1",7.7,19,56.01,45.69135802,"ICaL" +"4717","nifedipine","Phase2_6-11_n1",7.7,19,61.09,51.96296296,"ICaL" +"4718","nifedipine","Phase2_6-11_n1",7.7,19,73.75,67.59259259,"ICaL" +"4719","nifedipine","Phase2_6-11_n1",7.7,19,55.13,44.60493827,"ICaL" +"4720","nifedipine","Phase2_6-11_n1",7.7,19,58.14,48.32098765,"ICaL" +"4721","nifedipine","Phase2_6-11_n1",7.7,19,57.49,47.51851852,"ICaL" +"4722","nifedipine","Phase2_6-11_n1",7.7,19,60.71,51.49382716,"ICaL" +"4723","nifedipine","Phase2_6-11_n1",7.7,19,47.04,34.61728395,"ICaL" +"4724","nifedipine","Phase2_6-11_n1",7.7,19,72.26,65.75308642,"ICaL" +"4725","nifedipine","Phase2_6-11_n1",7.7,19,62.03,53.12345679,"ICaL" +"4726","nifedipine","Phase2_6-11_n1",77,19,82.42,78.2962963,"ICaL" +"4727","nifedipine","Phase2_6-11_n1",77,19,77.43,72.13580247,"ICaL" +"4728","nifedipine","Phase2_6-11_n1",77,19,85.06,81.55555556,"ICaL" +"4729","nifedipine","Phase2_6-11_n1",77,19,79.23,74.35802469,"ICaL" +"4730","nifedipine","Phase2_6-11_n1",77,19,70.93,64.11111111,"ICaL" +"4731","nifedipine","Phase2_6-11_n1",77,19,77.45,72.16049383,"ICaL" +"4732","nifedipine","Phase2_6-11_n1",77,19,83.63,79.79012346,"ICaL" +"4733","nifedipine","Phase2_6-11_n1",77,19,74.86,68.96296296,"ICaL" +"4734","nifedipine","Phase2_6-11_n1",77,19,77.86,72.66666667,"ICaL" +"4735","nifedipine","Phase2_6-11_n1",77,19,79.74,74.98765432,"ICaL" +"4736","nifedipine","Phase2_6-11_n1",7700,19,92.42,90.64197531,"ICaL" +"4737","nifedipine","Phase2_6-11_n1",7700,19,88.03,85.22222222,"ICaL" +"4738","nifedipine","Phase2_6-11_n1",7700,19,94.84,93.62962963,"ICaL" +"4739","nifedipine","Phase2_6-11_n1",7700,19,100.27,100.3333333,"ICaL" +"4740","nifedipine","Phase2_6-11_n1",7700,19,92.02,90.14814815,"ICaL" +"4741","nifedipine","Phase2_6-11_n1",7700,19,86.02,82.74074074,"ICaL" +"4742","nifedipine","Phase2_6-11_n1",7700,19,98.35,97.96296296,"ICaL" +"4743","nifedipine","Phase2_6-11_n1",7700,19,87.58,84.66666667,"ICaL" +"4744","nifedipine","Phase2_6-11_n1",7700,19,88.61,85.9382716,"ICaL" +"4745","nifedipine","Phase2_6-11_n1",7700,19,92.13,90.28395062,"ICaL" +"4746","nifedipine","Phase2_6-11_n1",7700,19,86.89,83.81481481,"ICaL" +"4747","nifedipine","Phase2_6-11_n1",7700,19,83.88,80.09876543,"ICaL" +"4748","nifedipine","Phase2_6-11_n1",51100,19,89.66,87.2345679,"ICaL" +"4749","nifedipine","Phase2_6-11_n1",51100,19,97.09,96.40740741,"ICaL" +"4750","nifedipine","Phase2_6-11_n1",51100,19,91.41,89.39506173,"ICaL" +"4751","nifedipine","Phase2_6-11_n1",51100,19,101.41,101.7407407,"ICaL" +"4752","nifedipine","Phase2_6-11_n1",51100,19,100.26,100.3209877,"ICaL" +"4753","nifedipine","Phase2_6-11_n1",51100,19,93.31,91.74074074,"ICaL" +"4754","nifedipine","Phase2_6-11_n1",51100,19,94.96,93.77777778,"ICaL" +"4755","nifedipine","Phase2_6-11_n1",51100,19,92.5,90.74074074,"ICaL" +"4756","nifedipine","Phase2_6-11_n1",51100,19,100.79,100.9753086,"ICaL" +"4757","nitrendipine","Phase2_6-11_n1",3.02,19,22.61,4.456790123,"ICaL" +"4758","nitrendipine","Phase2_6-11_n1",3.02,19,41.45,27.71604938,"ICaL" +"4759","nitrendipine","Phase2_6-11_n1",3.02,19,45.44,32.64197531,"ICaL" +"4760","nitrendipine","Phase2_6-11_n1",3.02,19,39.02,24.71604938,"ICaL" +"4761","nitrendipine","Phase2_6-11_n1",3.02,19,27.52,10.51851852,"ICaL" +"4762","nitrendipine","Phase2_6-11_n1",3.02,19,47.32,34.96296296,"ICaL" +"4763","nitrendipine","Phase2_6-11_n1",3.02,19,27.78,10.83950617,"ICaL" +"4764","nitrendipine","Phase2_6-11_n1",3.02,19,39.75,25.61728395,"ICaL" +"4765","nitrendipine","Phase2_6-11_n1",30.2,19,50.8,39.25925926,"ICaL" +"4766","nitrendipine","Phase2_6-11_n1",30.2,19,60.03,50.65432099,"ICaL" +"4767","nitrendipine","Phase2_6-11_n1",30.2,19,50.54,38.9382716,"ICaL" +"4768","nitrendipine","Phase2_6-11_n1",30.2,19,50.59,39,"ICaL" +"4769","nitrendipine","Phase2_6-11_n1",30.2,19,39.22,24.96296296,"ICaL" +"4770","nitrendipine","Phase2_6-11_n1",30.2,19,66.43,58.55555556,"ICaL" +"4771","nitrendipine","Phase2_6-11_n1",30.2,19,53.22,42.24691358,"ICaL" +"4772","nitrendipine","Phase2_6-11_n1",30.2,19,60.74,51.5308642,"ICaL" +"4773","nitrendipine","Phase2_6-11_n1",30.2,19,42.25,28.7037037,"ICaL" +"4774","nitrendipine","Phase2_6-11_n1",30.2,19,45.54,32.7654321,"ICaL" +"4775","nitrendipine","Phase2_6-11_n1",3020,19,90.86,88.71604938,"ICaL" +"4776","nitrendipine","Phase2_6-11_n1",3020,19,82.45,78.33333333,"ICaL" +"4777","nitrendipine","Phase2_6-11_n1",3020,19,81.5,77.16049383,"ICaL" +"4778","nitrendipine","Phase2_6-11_n1",3020,19,86.82,83.72839506,"ICaL" +"4779","nitrendipine","Phase2_6-11_n1",3020,19,80.55,75.98765432,"ICaL" +"4780","nitrendipine","Phase2_6-11_n1",3020,19,93.73,92.25925926,"ICaL" +"4781","nitrendipine","Phase2_6-11_n1",3020,19,84.57,80.95061728,"ICaL" +"4782","nitrendipine","Phase2_6-11_n1",3020,19,87.48,84.54320988,"ICaL" +"4783","nitrendipine","Phase2_6-11_n1",3020,19,94.19,92.82716049,"ICaL" +"4784","nitrendipine","Phase2_6-11_n1",3020,19,83.35,79.44444444,"ICaL" +"4785","nitrendipine","Phase2_6-11_n1",30200,19,91.55,89.56790123,"ICaL" +"4786","nitrendipine","Phase2_6-11_n1",30200,19,105.24,106.4691358,"ICaL" +"4787","nitrendipine","Phase2_6-11_n1",30200,19,100.73,100.9012346,"ICaL" +"4788","nitrendipine","Phase2_6-11_n1",30200,19,95.69,94.67901235,"ICaL" +"4789","nitrendipine","Phase2_6-11_n1",30200,19,96.2,95.30864198,"ICaL" +"4790","nitrendipine","Phase2_6-11_n1",30200,19,94.81,93.59259259,"ICaL" +"4791","nitrendipine","Phase2_6-11_n1",30200,19,89.55,87.09876543,"ICaL" +"4792","pimozide","Phase2_6-11_n1",0.43,19,24.51,6.802469136,"ICaL" +"4793","pimozide","Phase2_6-11_n1",0.43,19,25.28,7.75308642,"ICaL" +"4794","pimozide","Phase2_6-11_n1",0.43,19,19.53,0.654320988,"ICaL" +"4795","pimozide","Phase2_6-11_n1",0.43,19,19.51,0.62962963,"ICaL" +"4796","pimozide","Phase2_6-11_n1",0.43,19,24.08,6.271604938,"ICaL" +"4797","pimozide","Phase2_6-11_n1",0.43,19,29.57,13.04938272,"ICaL" +"4798","pimozide","Phase2_6-11_n1",0.43,19,28.35,11.54320988,"ICaL" +"4799","pimozide","Phase2_6-11_n1",0.43,19,38.51,24.08641975,"ICaL" +"4800","pimozide","Phase2_6-11_n1",0.43,19,17.88,-1.382716049,"ICaL" +"4801","pimozide","Phase2_6-11_n1",0.43,19,35.44,20.2962963,"ICaL" +"4802","pimozide","Phase2_6-11_n1",4.3,19,40.65,26.72839506,"ICaL" +"4803","pimozide","Phase2_6-11_n1",4.3,19,26.3,9.012345679,"ICaL" +"4804","pimozide","Phase2_6-11_n1",4.3,19,28.87,12.18518519,"ICaL" +"4805","pimozide","Phase2_6-11_n1",4.3,19,28.42,11.62962963,"ICaL" +"4806","pimozide","Phase2_6-11_n1",4.3,19,32.65,16.85185185,"ICaL" +"4807","pimozide","Phase2_6-11_n1",4.3,19,20.91,2.358024691,"ICaL" +"4808","pimozide","Phase2_6-11_n1",4.3,19,31.67,15.64197531,"ICaL" +"4809","pimozide","Phase2_6-11_n1",4.3,19,24.76,7.111111111,"ICaL" +"4810","pimozide","Phase2_6-11_n1",43,19,16.86,-2.641975309,"ICaL" +"4811","pimozide","Phase2_6-11_n1",43,19,22.34,4.12345679,"ICaL" +"4812","pimozide","Phase2_6-11_n1",43,19,31.48,15.40740741,"ICaL" +"4813","pimozide","Phase2_6-11_n1",43,19,29.01,12.35802469,"ICaL" +"4814","pimozide","Phase2_6-11_n1",43,19,19.49,0.604938272,"ICaL" +"4815","pimozide","Phase2_6-11_n1",43,19,17.56,-1.777777778,"ICaL" +"4816","pimozide","Phase2_6-11_n1",43,19,29.24,12.64197531,"ICaL" +"4817","pimozide","Phase2_6-11_n1",430,19,81.94,77.7037037,"ICaL" +"4818","pimozide","Phase2_6-11_n1",430,19,78.89,73.9382716,"ICaL" +"4819","pimozide","Phase2_6-11_n1",430,19,78.45,73.39506173,"ICaL" +"4820","pimozide","Phase2_6-11_n1",430,19,87.83,84.97530864,"ICaL" +"4821","clozapine","Phase2_6-11_n1",71,19,16.14,-3.530864198,"ICaL" +"4822","clozapine","Phase2_6-11_n1",71,19,23.82,5.950617284,"ICaL" +"4823","clozapine","Phase2_6-11_n1",71,19,29.34,12.7654321,"ICaL" +"4824","clozapine","Phase2_6-11_n1",71,19,38.47,24.03703704,"ICaL" +"4825","clozapine","Phase2_6-11_n1",71,19,29.4,12.83950617,"ICaL" +"4826","clozapine","Phase2_6-11_n1",71,19,16.89,-2.604938272,"ICaL" +"4827","clozapine","Phase2_6-11_n1",71,19,7.52,-14.17283951,"ICaL" +"4828","clozapine","Phase2_6-11_n1",71,19,23.28,5.283950617,"ICaL" +"4829","clozapine","Phase2_6-11_n1",71,19,21.86,3.530864198,"ICaL" +"4830","clozapine","Phase2_6-11_n1",71,19,26.56,9.333333333,"ICaL" +"4831","clozapine","Phase2_6-11_n1",710,19,30.99,14.80246914,"ICaL" +"4832","clozapine","Phase2_6-11_n1",710,19,27.2,10.12345679,"ICaL" +"4833","clozapine","Phase2_6-11_n1",710,19,27.89,10.97530864,"ICaL" +"4834","clozapine","Phase2_6-11_n1",710,19,37.94,23.38271605,"ICaL" +"4835","clozapine","Phase2_6-11_n1",710,19,28.41,11.61728395,"ICaL" +"4836","clozapine","Phase2_6-11_n1",7100,19,89.03,86.45679012,"ICaL" +"4837","clozapine","Phase2_6-11_n1",7100,19,81.81,77.54320988,"ICaL" +"4838","clozapine","Phase2_6-11_n1",7100,19,91.27,89.22222222,"ICaL" +"4839","clozapine","Phase2_6-11_n1",7100,19,95.84,94.86419753,"ICaL" +"4840","clozapine","Phase2_6-11_n1",7100,19,85.14,81.65432099,"ICaL" +"4841","clozapine","Phase2_6-11_n1",7100,19,78.66,73.65432099,"ICaL" +"4842","clozapine","Phase2_6-11_n1",7100,19,53.96,43.16049383,"ICaL" +"4843","clozapine","Phase2_6-11_n1",7100,19,69.11,61.86419753,"ICaL" +"4844","clozapine","Phase2_6-11_n1",7100,19,61.65,52.65432099,"ICaL" +"4845","clozapine","Phase2_6-11_n1",71000,19,91.33,89.2962963,"ICaL" +"4846","clozapine","Phase2_6-11_n1",71000,19,107.22,108.9135802,"ICaL" +"4847","clozapine","Phase2_6-11_n1",71000,19,103.21,103.962963,"ICaL" +"4848","clozapine","Phase2_6-11_n1",71000,19,94.47,93.17283951,"ICaL" +"4849","clozapine","Phase2_6-11_n1",71000,19,95.3,94.19753086,"ICaL" +"4850","clozapine","Phase2_6-11_n1",71000,19,102.69,103.3209877,"ICaL" +"4851","clozapine","Phase2_6-11_n1",71000,19,97.69,97.14814815,"ICaL" +"4852","clozapine","Phase2_6-11_n1",71000,19,103.58,104.4197531,"ICaL" +"4853","clozapine","Phase2_6-11_n1",71000,19,98.87,98.60493827,"ICaL" +"4854","clozapine","Phase2_6-11_n1",71000,19,107.69,109.4938272,"ICaL" +"4855","clarithromycin","Phase2_6-11_n1",120.6,19,25.42,7.925925926,"ICaL" +"4856","clarithromycin","Phase2_6-11_n1",120.6,19,25.45,7.962962963,"ICaL" +"4857","clarithromycin","Phase2_6-11_n1",120.6,19,39.78,25.65432099,"ICaL" +"4858","clarithromycin","Phase2_6-11_n1",120.6,19,24.69,7.024691358,"ICaL" +"4859","clarithromycin","Phase2_6-11_n1",120.6,19,13.86,-6.345679012,"ICaL" +"4860","clarithromycin","Phase2_6-11_n1",120.6,19,25.71,8.283950617,"ICaL" +"4861","clarithromycin","Phase2_6-11_n1",120.6,19,12.12,-8.49382716,"ICaL" +"4862","clarithromycin","Phase2_6-11_n1",120.6,19,26.09,8.75308642,"ICaL" +"4863","clarithromycin","Phase2_6-11_n1",120.6,19,26.67,9.469135802,"ICaL" +"4864","clarithromycin","Phase2_6-11_n1",120.6,19,17.43,-1.938271605,"ICaL" +"4865","clarithromycin","Phase2_6-11_n1",120.6,19,16.51,-3.074074074,"ICaL" +"4866","clarithromycin","Phase2_6-11_n1",1206,19,32.29,16.40740741,"ICaL" +"4867","clarithromycin","Phase2_6-11_n1",1206,19,32.13,16.20987654,"ICaL" +"4868","clarithromycin","Phase2_6-11_n1",1206,19,46.38,33.80246914,"ICaL" +"4869","clarithromycin","Phase2_6-11_n1",1206,19,19.63,0.777777778,"ICaL" +"4870","clarithromycin","Phase2_6-11_n1",1206,19,44.6,31.60493827,"ICaL" +"4871","clarithromycin","Phase2_6-11_n1",1206,19,39.49,25.2962963,"ICaL" +"4872","clarithromycin","Phase2_6-11_n1",1206,19,13.98,-6.197530864,"ICaL" +"4873","clarithromycin","Phase2_6-11_n1",1206,19,47.34,34.98765432,"ICaL" +"4874","clarithromycin","Phase2_6-11_n1",1206,19,26.16,8.839506173,"ICaL" +"4875","clarithromycin","Phase2_6-11_n1",12060,19,29.74,13.25925926,"ICaL" +"4876","clarithromycin","Phase2_6-11_n1",12060,19,32.3,16.41975309,"ICaL" +"4877","clarithromycin","Phase2_6-11_n1",12060,19,31.08,14.91358025,"ICaL" +"4878","clarithromycin","Phase2_6-11_n1",12060,19,31.65,15.61728395,"ICaL" +"4879","clarithromycin","Phase2_6-11_n1",12060,19,20.27,1.567901235,"ICaL" +"4880","clarithromycin","Phase2_6-11_n1",12060,19,20.19,1.469135802,"ICaL" +"4881","clarithromycin","Phase2_6-11_n1",1e+05,19,62.18,53.30864198,"ICaL" +"4882","clarithromycin","Phase2_6-11_n1",1e+05,19,73.98,67.87654321,"ICaL" +"4883","clarithromycin","Phase2_6-11_n1",1e+05,19,62.13,53.24691358,"ICaL" +"4884","clarithromycin","Phase2_6-11_n1",1e+05,19,41.5,27.77777778,"ICaL" +"4885","clarithromycin","Phase2_6-11_n1",1e+05,19,31.1,14.9382716,"ICaL" +"4886","clarithromycin","Phase2_6-11_n1",1e+05,19,31.54,15.48148148,"ICaL" +"4887","clarithromycin","Phase2_6-11_n1",1e+05,19,57.34,47.33333333,"ICaL" +"4888","loratadine","phase2_INaL",35000,17.6566,103.4081,104.1388867,"INaL" +"4889","loratadine","phase2_INaL",35000,17.6566,112.7273,115.4563693,"INaL" +"4890","loratadine","phase2_INaL",35000,17.6566,90.2912,88.20937683,"INaL" +"4891","loratadine","phase2_INaL",0.45,17.6566,23.4456,7.030314512,"INaL" +"4892","loratadine","phase2_INaL",0.45,17.6566,7.0339,-12.90048747,"INaL" +"4893","loratadine","phase2_INaL",0.45,17.6566,18.5539,1.089704822,"INaL" +"4894","loratadine","phase2_INaL",4.5,17.6566,30.6122,15.73362285,"INaL" +"4895","loratadine","phase2_INaL",4.5,17.6566,36.9688,23.4532458,"INaL" +"4896","loratadine","phase2_INaL",4.5,17.6566,6.6667,-13.34642485,"INaL" +"4897","loratadine","phase2_INaL",4.5,17.6566,39.8829,26.99220581,"INaL" +"4898","loratadine","phase2_INaL",4.5,17.6566,35.5297,21.70556474,"INaL" +"4899","loratadine","phase2_INaL",4.5,17.6566,52.3384,42.11849401,"INaL" +"4900","loratadine","phase2_INaL",4.5,17.6566,33.4963,19.23615007,"INaL" +"4901","loratadine","phase2_INaL",4.5,17.6566,14.2265,-4.165604044,"INaL" +"4902","loratadine","phase2_INaL",0.45,17.6566,25.956,10.07901058,"INaL" +"4903","loratadine","phase2_INaL",0.45,17.6566,19.2349,1.91672921,"INaL" +"4904","loratadine","phase2_INaL",450,17.6566,64.6137,57.02594258,"INaL" +"4905","loratadine","phase2_INaL",450,17.6566,25.413,9.41957704,"INaL" +"4906","loratadine","phase2_INaL",450,17.6566,31.9066,17.3055764,"INaL" +"4907","loratadine","phase2_INaL",450,17.6566,44.9563,33.15347678,"INaL" +"4908","loratadine","phase2_INaL",450,17.6566,32.6165,18.16769771,"INaL" +"4909","loratadine","phase2_INaL",450,17.6566,46.934,35.5552479,"INaL" +"4910","loratadine","phase2_INaL",35000,17.6566,76.566,71.54113141,"INaL" +"4911","loratadine","phase2_INaL",35000,17.6566,119.2477,123.3749153,"INaL" +"4912","loratadine","phase2_INaL",35000,17.6566,103.7863,104.5981827,"INaL" +"4913","loratadine","phase2_INaL",35000,17.6566,96.8876,96.22021923,"INaL" +"4914","loratadine","phase2_INaL",35000,17.6566,101.6429,101.9951812,"INaL" +"4915","loratadine","phase2_INaL",4.5,17.6566,46.2076,34.67308855,"INaL" +"4916","loratadine","phase2_INaL",4.5,17.6566,29.9517,14.93149421,"INaL" +"4917","loratadine","phase2_INaL",35000,17.6566,93.1611,91.6946592,"INaL" +"4918","ibutilide","phase2_INaL",10,17.6566,21.9178,5.174913836,"INaL" +"4919","ibutilide","phase2_INaL",10,17.6566,20.409,3.342587263,"INaL" +"4920","ibutilide","phase2_INaL",10,17.6566,18.2067,0.66805597,"INaL" +"4921","ibutilide","phase2_INaL",100,17.6566,21.6102,4.801356271,"INaL" +"4922","ibutilide","phase2_INaL",100,17.6566,35.9455,22.21052325,"INaL" +"4923","ibutilide","phase2_INaL",100,17.6566,46.1957,34.65863688,"INaL" +"4924","ibutilide","phase2_INaL",10,17.6566,15.8621,-2.1792882,"INaL" +"4925","ibutilide","phase2_INaL",100,17.6566,22.4032,5.764396418,"INaL" +"4926","ibutilide","phase2_INaL",1000,17.6566,39.1576,26.11138233,"INaL" +"4927","ibutilide","phase2_INaL",1000,17.6566,47.5356,36.28584683,"INaL" +"4928","ibutilide","phase2_INaL",100,17.6566,16.4292,-1.490586981,"INaL" +"4929","ibutilide","phase2_INaL",1000,17.6566,56.8129,47.552445,"INaL" +"4930","ibutilide","phase2_INaL",1000,17.6566,43.2432,31.07304289,"INaL" +"4931","ibutilide","phase2_INaL",1000,17.6566,23.6778,7.312304326,"INaL" +"4932","ibutilide","phase2_INaL",1000,17.6566,25.4861,9.50835161,"INaL" +"4933","ibutilide","phase2_INaL",1000,17.6566,52.5828,42.41529983,"INaL" +"4934","ibutilide","phase2_INaL",10000,17.6566,72.2992,66.35941678,"INaL" +"4935","ibutilide","phase2_INaL",10000,17.6566,69.1951,62.58971575,"INaL" +"4936","ibutilide","phase2_INaL",10000,17.6566,90.5051,88.46914264,"INaL" +"4937","ibutilide","phase2_INaL",10000,17.6566,61.3941,53.11597529,"INaL" +"4938","metoprolol","phase2_INaL",1800,17.6566,12.1762,-6.655542521,"INaL" +"4939","metoprolol","phase2_INaL",1800,17.6566,5.8484,-14.34018998,"INaL" +"4940","metoprolol","phase2_INaL",1800,17.6566,21.2884,4.410553851,"INaL" +"4941","metoprolol","phase2_INaL",1800,17.6566,21.0702,4.145566008,"INaL" +"4942","metoprolol","phase2_INaL",180000,17.6566,51.1737,40.70405157,"INaL" +"4943","metoprolol","phase2_INaL",180000,17.6566,67.3063,60.29590714,"INaL" +"4944","metoprolol","phase2_INaL",438000,17.6566,97.3964,96.83811939,"INaL" +"4945","metoprolol","phase2_INaL",438000,17.6566,85.9649,82.95540383,"INaL" +"4946","metoprolol","phase2_INaL",438000,17.6566,76.6844,71.6849195,"INaL" +"4947","metoprolol","phase2_INaL",438000,17.6566,78.9261,74.40729919,"INaL" +"4948","metoprolol","phase2_INaL",438000,17.6566,90.5465,88.51941989,"INaL" +"4949","metoprolol","phase2_INaL",438000,17.6566,87.3874,84.68292541,"INaL" +"4950","metoprolol","phase2_INaL",438000,17.6566,88.2535,85.73474012,"INaL" +"4951","metoprolol","phase2_INaL",180000,17.6566,88.3117,85.80541974,"INaL" +"4952","metoprolol","phase2_INaL",180000,17.6566,55.7325,46.24037871,"INaL" +"4953","metoprolol","phase2_INaL",180000,17.6566,58.0556,49.06161271,"INaL" +"4954","metoprolol","phase2_INaL",180000,17.6566,69.5197,62.98391857,"INaL" +"4955","metoprolol","phase2_INaL",1800,17.6566,27.5766,12.04711003,"INaL" +"4956","metoprolol","phase2_INaL",18000,17.6566,45.6376,33.9808655,"INaL" +"4957","metoprolol","phase2_INaL",18000,17.6566,30.0842,15.09240571,"INaL" +"4958","metoprolol","phase2_INaL",18000,17.6566,35.7558,21.98014656,"INaL" +"4959","metoprolol","phase2_INaL",18000,17.6566,39.3782,26.3792848,"INaL" +"4960","metoprolol","phase2_INaL",18000,17.6566,30.8494,16.0216848,"INaL" +"4961","metoprolol","phase2_INaL",18000,17.6566,30.597,15.71516357,"INaL" +"4962","metoprolol","phase2_INaL",180000,17.6566,66.7814,59.65845472,"INaL" +"4963","metoprolol","phase2_INaL",180000,17.6566,90.9178,88.97033642,"INaL" +"4964","metoprolol","phase2_INaL",180000,17.6566,51.5464,41.15666829,"INaL" +"4965","droperidol","phase2_INaL",16,17.6566,31.7073,17.06354122,"INaL" +"4966","droperidol","phase2_INaL",16,17.6566,30.0373,15.03544911,"INaL" +"4967","droperidol","phase2_INaL",160,17.6566,47.8064,36.6147135,"INaL" +"4968","droperidol","phase2_INaL",16,17.6566,25.9446,10.06516612,"INaL" +"4969","droperidol","phase2_INaL",160,17.6566,23.5318,7.134998069,"INaL" +"4970","droperidol","phase2_INaL",160,17.6566,30.2804,15.33067617,"INaL" +"4971","droperidol","phase2_INaL",1600,17.6566,83.0571,79.42409471,"INaL" +"4972","droperidol","phase2_INaL",1600,17.6566,70.0193,63.590646,"INaL" +"4973","droperidol","phase2_INaL",1600,17.6566,69.3498,62.77758752,"INaL" +"4974","droperidol","phase2_INaL",1600,17.6566,64.0743,56.37088097,"INaL" +"4975","droperidol","phase2_INaL",1600,17.6566,59.1954,50.44581594,"INaL" +"4976","droperidol","phase2_INaL",1600,17.6566,57.0058,47.78670786,"INaL" +"4977","droperidol","phase2_INaL",1600,17.6566,52.9762,42.89305518,"INaL" +"4978","droperidol","phase2_INaL",16000,17.6566,104.8346,105.8712659,"INaL" +"4979","droperidol","phase2_INaL",16000,17.6566,99.2063,99.03610976,"INaL" +"4980","droperidol","phase2_INaL",16000,17.6566,98.951,98.72606669,"INaL" +"4981","droperidol","phase2_INaL",16000,17.6566,105.3889,106.5444225,"INaL" +"4982","droperidol","phase2_INaL",16000,17.6566,97.5842,97.06618867,"INaL" +"4983","domperidone","phase2_INaL",2000,17.6566,54.88,45.20508019,"INaL" +"4984","domperidone","phase2_INaL",2000,17.6566,73.6527,68.00314294,"INaL" +"4985","domperidone","phase2_INaL",2000,17.6566,70.8245,64.56850215,"INaL" +"4986","domperidone","phase2_INaL",2000,17.6566,77.4538,72.61929918,"INaL" +"4987","domperidone","phase2_INaL",2000,17.6566,81.3648,77.36892088,"INaL" +"4988","domperidone","phase2_INaL",2000,17.6566,65.0986,57.61481795,"INaL" +"4989","domperidone","phase2_INaL",2000,17.6566,69.0583,62.42358222,"INaL" +"4990","domperidone","phase2_INaL",2000,17.6566,74.0351,68.4675396,"INaL" +"4991","domperidone","phase2_INaL",20000,17.6566,93.2367,91.78646983,"INaL" +"4992","domperidone","phase2_INaL",20000,17.6566,100.9579,101.1632991,"INaL" +"4993","domperidone","phase2_INaL",20000,17.6566,107.4579,109.0570708,"INaL" +"4994","domperidone","phase2_INaL",20000,17.6566,96.9697,96.31992364,"INaL" +"4995","domperidone","phase2_INaL",2000,17.6566,62.3984,54.33562374,"INaL" +"4996","domperidone","phase2_INaL",20,17.6566,11.4416,-7.547660165,"INaL" +"4997","domperidone","phase2_INaL",20,17.6566,24.2425,7.998090922,"INaL" +"4998","domperidone","phase2_INaL",20,17.6566,18.4357,0.946159619,"INaL" +"4999","domperidone","phase2_INaL",20,17.6566,19.4561,2.185360332,"INaL" +"5000","domperidone","phase2_INaL",20,17.6566,25.2248,9.191021988,"INaL" +"5001","domperidone","phase2_INaL",20,17.6566,8.4989,-11.12135277,"INaL" +"5002","domperidone","phase2_INaL",20,17.6566,23.4803,7.072455109,"INaL" +"5003","domperidone","phase2_INaL",20,17.6566,20.4124,3.346716312,"INaL" +"5004","domperidone","phase2_INaL",200,17.6566,22.7503,6.185923826,"INaL" +"5005","domperidone","phase2_INaL",200,17.6566,32.1295,17.57627205,"INaL" +"5006","domperidone","phase2_INaL",200,17.6566,44.37,32.44145857,"INaL" +"5007","domperidone","phase2_INaL",200,17.6566,34.5679,20.53752942,"INaL" +"5008","domperidone","phase2_INaL",2000,17.6566,73.444,67.74969214,"INaL" +"5009","domperidone","phase2_INaL",20000,17.6566,101.7018,102.0667109,"INaL" +"5010","domperidone","phase2_INaL",20000,17.6566,104.2322,105.1396955,"INaL" +"5011","domperidone","phase2_INaL",20000,17.6566,97.6329,97.12533123,"INaL" +"5012","domperidone","phase2_INaL",20000,17.6566,107.7135,109.3674781,"INaL" +"5013","domperidone","phase2_INaL",20000,17.6566,93.2961,91.85860676,"INaL" +"5014","nifedipine","phase2_INaL",51100,17.6566,98.6888,98.40764409,"INaL" +"5015","nifedipine","phase2_INaL",7.7,17.6566,30.0984,15.10965056,"INaL" +"5016","nifedipine","phase2_INaL",7.7,17.6566,6.673,-13.33877396,"INaL" +"5017","nifedipine","phase2_INaL",7.7,17.6566,31.5989,16.9318974,"INaL" +"5018","nifedipine","phase2_INaL",77,17.6566,37.7239,24.37025918,"INaL" +"5019","nifedipine","phase2_INaL",77,17.6566,23.5206,7.121396493,"INaL" +"5020","nifedipine","phase2_INaL",77,17.6566,26.3946,10.61165801,"INaL" +"5021","nifedipine","phase2_INaL",77,17.6566,36.7647,23.20538137,"INaL" +"5022","nifedipine","phase2_INaL",77,17.6566,13.7542,-4.739177639,"INaL" +"5023","nifedipine","phase2_INaL",7700,17.6566,56.4644,47.1292174,"INaL" +"5024","nifedipine","phase2_INaL",7700,17.6566,64.487,56.87207475,"INaL" +"5025","nifedipine","phase2_INaL",7700,17.6566,50.5504,39.94709959,"INaL" +"5026","nifedipine","phase2_INaL",7700,17.6566,54.5836,44.8451242,"INaL" +"5027","nifedipine","phase2_INaL",7700,17.6566,63.2472,55.36642888,"INaL" +"5028","nifedipine","phase2_INaL",7700,17.6566,55.5967,46.0754596,"INaL" +"5029","nifedipine","phase2_INaL",51100,17.6566,102.7494,103.338944,"INaL" +"5030","nifedipine","phase2_INaL",51100,17.6566,93.4783,92.07987525,"INaL" +"5031","nifedipine","phase2_INaL",51100,17.6566,97.2516,96.66227044,"INaL" +"5032","nifedipine","phase2_INaL",51100,17.6566,91.0204,89.09493657,"INaL" +"5033","nifedipine","phase2_INaL",51100,17.6566,109.7773,111.8738114,"INaL" +"5034","nifedipine","phase2_INaL",51100,17.6566,100.2335,100.2835686,"INaL" +"5035","nifedipine","phase2_INaL",51100,17.6566,99.6286,99.54896203,"INaL" +"5036","nifedipine","phase2_INaL",51100,17.6566,105.9574,107.2348239,"INaL" +"5037","nitrendipine","phase2_INaL",3.02,17.6566,26.4085,10.62853853,"INaL" +"5038","nitrendipine","phase2_INaL",3.02,17.6566,28.75,13.47211798,"INaL" +"5039","nitrendipine","phase2_INaL",3.02,17.6566,26.4685,10.70140412,"INaL" +"5040","nitrendipine","phase2_INaL",30.2,17.6566,10.9116,-8.191306164,"INaL" +"5041","nitrendipine","phase2_INaL",30.2,17.6566,22.9616,6.442532128,"INaL" +"5042","nitrendipine","phase2_INaL",30.2,17.6566,4.1591,-16.39172053,"INaL" +"5043","nitrendipine","phase2_INaL",3020,17.6566,85.2376,82.0721515,"INaL" +"5044","nitrendipine","phase2_INaL",3020,17.6566,85.8128,82.77068958,"INaL" +"5045","nitrendipine","phase2_INaL",3020,17.6566,84.3643,81.01159291,"INaL" 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+"5185","tamoxifen","phase2_INaL",2100,17.6566,44.2415,32.28540478,"INaL" +"5186","tamoxifen","phase2_INaL",2100,17.6566,41.7729,29.28747173,"INaL" +"5187","tamoxifen","phase2_INaL",2100,17.6566,43.8218,31.77571001,"INaL" +"5188","tamoxifen","phase2_INaL",2100,17.6566,69.4402,62.88737167,"INaL" +"5189","tamoxifen","phase2_INaL",2100,17.6566,53.6585,43.72165832,"INaL" +"5190","tamoxifen","phase2_INaL",10000,17.6566,105.0847,106.174994,"INaL" +"5191","tamoxifen","phase2_INaL",10000,17.6566,106.5041,107.8987508,"INaL" +"5192","tamoxifen","phase2_INaL",210,17.6566,3.5473,-17.13470661,"INaL" +"5193","tamoxifen","phase2_INaL",210,17.6566,20.2703,3.174146319,"INaL" +"5194","tamoxifen","phase2_INaL",210,17.6566,18.3903,0.89102466,"INaL" +"5195","tamoxifen","phase2_INaL",210,17.6566,9.7173,-9.641695631,"INaL" +"5196","tamoxifen","phase2_INaL",2100,17.6566,57.2206,48.04756665,"INaL" +"5197","tamoxifen","phase2_INaL",21,17.6566,2.864,-17.96452418,"INaL" 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files /dev/null and b/nanion_Hill_fitting/results/bepridil/INa_sensRange.rds differ diff --git a/nanion_Hill_fitting/results/chlorpromazine/IC50_optimal.csv b/nanion_Hill_fitting/results/chlorpromazine/IC50_optimal.csv new file mode 100644 index 0000000..2e33c37 --- /dev/null +++ b/nanion_Hill_fitting/results/chlorpromazine/IC50_optimal.csv @@ -0,0 +1,2 @@ +ICaL_IC50,ICaL_h,INa_IC50,INa_h,INaL_IC50,INaL_h +2986,1.108,1131,1.98,427.7,1.676 diff --git a/nanion_Hill_fitting/results/chlorpromazine/IC50_samples.csv b/nanion_Hill_fitting/results/chlorpromazine/IC50_samples.csv new file mode 100644 index 0000000..6d7c44e --- /dev/null +++ b/nanion_Hill_fitting/results/chlorpromazine/IC50_samples.csv @@ -0,0 +1,2001 @@ +ICaL_IC50,ICaL_h,INa_IC50,INa_h,INaL_IC50,INaL_h +2902,1.022,1128,1.908,432.8,1.594 +2904,1.081,1227,1.967,423.6,1.597 +2946,1.102,1093,1.985,438.4,1.663 +2822,1.102,1057,1.998,429.4,1.631 +3003,0.9901,1131,1.944,413.2,1.632 +2944,1.21,1114,1.931,417.6,1.656 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+scale<-"sara" +CL<-2000 +metric<-"qNet" +dataset<-"chantest" + +last_dose<-4 +dose<-last_dose +outdir<-sprintf("results/%s/scale_%s/CL%d/",dataset,scale,CL) +last_dose<-4 +fitmethod<-"lrm" +#fitmethod<-"ordLORgee" +#fitmethod<-"repolr" + +colorvec<-c("red","dark green","blue","black","cyan","purple","brown") +colordf<-data.frame( + drug = c("dofetilide","bepridil","quinidine","sotalol","ibutilide", "azimilide", "vandetanib", + "cisapride","terfenadine","ondansetron","chlorpromazine","clarithromycin","risperidone","astemizole", "pimozide","droperidol","clozapine", + "ranolazine","mexiletine","diltiazem","verapamil","metoprolol","loratadine","tamoxifen","nifedipine","nitrendipine"), + classidx=c(rep(2,7),rep(1,10),rep(0,9)), + coloridx=c(rep(1,7),rep(3,10),rep(2,9)), + isTraining=c(1,1,1,1,0,0,0, + 1,1,1,1,0,0,0,0,0,0, + 1,1,1,1,0,0,0,0,0) + ) + + +system(paste0("mkdir -p ",outdir)) +figdir<-sub("results","figs",outdir) +system(paste0("mkdir -p ",figdir)) + +source("fit_funs.R") +if(fitmethod=="polr"){ + library(MASS) + try_fit<-try_polr +}else if(fitmethod=="lrm"){ + library(rms) + try_fit<-try_lrm +}else if(fitmethod=="repolr"){ + require(repolr) + try_fit<-try_repolr +}else if(fitmethod=="ordLORgee"){ + require(multgee) + try_fit<-try_ordLORgee +} + +# read in dataset + +thrdf<-data.frame() + +if(metric !="model5"){ +df<- as.data.frame(readRDS(paste0("../",dataset,"_AP_simulation/results/uncertainty/metrics.rds"))) +#mei head +#df<-df[df$drug!="disopyramide"&df$drug!="domperidone",] +#mei over +df<-df[df$drug!="control" & df$dose>0,] +todrop<-is.na(df$max_dv)#df$noDepols==250 +print(sprintf("Number of depolarization failures: %d/%d",sum(todrop),nrow(df))) +df<-df[!todrop,] +df$class<-df$max_dv>0 +df$qNet <- df$qNet/1000 +print(sprintf("Number of EADs: %d/%d",sum(df$class),nrow(df))) + +if(dataset=="original"){ + nboots<-0 +}else{ + #nboots<-max(df$boot) # using all bootstraps + nboots<-2000 +} + +cols<-c("drug","sample") + + +# create thresholds for each range of doses +print(sprintf("%s, %s scale, CL = %d ms, nboot = %d, dose <= %d Cmax",dataset,scale,CL,nboots,dose)) + +brows<-df$dose<=dose +wtdf<-aggregate(df[brows,metric,drop=FALSE], by=as.list(df[brows,cols]), mean) # equally weighted across doses +wtdf$drug<-as.factor(wtdf$drug) +}else{ #if metric == model5 + if(dataset=="pureHTS"){ #shouldn't use "hybrid" as dataset here! + Hilldataset<- "pureHTS" + }else if(dataset=="pureManual"){ + Hilldataset<-"pureManual" #note I didn't use validationManual_Hill_fitting here + } + wtdf<-data.frame(drug=rep(colordf$drug, each=2000),sample=rep(1:2000,28),model5=NA) + for(drug in colordf$drug){ + IC50table<- read.delim(paste0("/scratch/lizhi/cardio/UQ/",Hilldataset,"_Hill_fitting/results/",drug,"/IC50_samples.csv"),sep=",") + wtdf$model5[wtdf$drug==drug]<- with(IC50table, -log(ICaL_IC50) - -log(hERG_IC50)) + }#for drug + + + + +}#if metric !=model5 +# get 95% CI +q2.5<-aggregate(wtdf[,metric,drop=FALSE], by=list(drug=wtdf[,c("drug")]), + FUN=function(x) quantile(x,probs=0.025,na.rm=TRUE)) +q97.5<-aggregate(wtdf[,metric,drop=FALSE], by=list(drug=wtdf[,c("drug")]), + FUN=function(x) quantile(x,probs=0.975,na.rm=TRUE)) + +q50<-aggregate(wtdf[,metric,drop=FALSE], by=list(drug=wtdf[,c("drug")]), + FUN=function(x) quantile(x,probs=0.5,na.rm=TRUE)) +cidf<-merge(q2.5,q97.5,by=c("drug"),suffixes=c("_0.025","_0.975")) +cidf<-merge(cidf, q50, by="drug") +colnames(cidf)[4]<-paste0(metric,"_0.5") +outdf<-cidf + +outfile<-sprintf("%s/%s_allCIthresholds.rds",outdir,metric) +saveRDS(outdf, outfile) + + +outdf<- merge(colordf, outdf,by="drug") +cidf<-outdf + +desiredorder<-drugnames<-c("ibutilide","vandetanib","bepridil","azimilide","dofetilide","quinidine","sotalol", "disopyramide", + "domperidone","pimozide","droperidol","cisapride","terfenadine","astemizole","ondansetron","clarithromycin","chlorpromazine","clozapine","risperidone", + "tamoxifen","loratadine","verapamil","metoprolol","nitrendipine","diltiazem","ranolazine","nifedipine","mexiletine") + +outdf$drug<- factor(outdf$drug, levels=rev(desiredorder)) +outdf$class<- 2-outdf$classidx +lower<-paste(metric,0.025,sep="_") +upper<-paste(metric,0.975,sep="_") +middle<-paste(metric,0.5,sep="_") +lower_bds<-aggregate(outdf[,lower], by=list(risk=outdf$class), FUN=min) +upper_bds<-aggregate(outdf[,upper], by=list(risk=outdf$class), FUN=max) +lower_bds<-lower_bds[match(c(0:2),lower_bds$risk),] +upper_bds<-upper_bds[match(c(0:2),upper_bds$risk),] +thresholds<-apply(cbind(head(upper_bds$x,-1),tail(lower_bds$x,-1)), 1, max) +thresholds<-sort(thresholds) +names(thresholds)<-c("High","Intermediate") + +newrow<-data.frame(last_dose=dose, type="95CI", t(thresholds)) +thrdf<-rbind(thrdf,newrow) + +figfile<-sub("results","figs",sub(".rds",".pdf",outfile)) +pdf(figfile, width=8, height=4) +p<-ggplot(outdf, aes(x=drug, color=as.character(class))) #ggplot2 doesn't like color idx being numbers +p<-p+geom_errorbar(aes_string(ymin=lower, ymax=upper)) +for(thresh in thresholds) + p<-p+geom_hline(yintercept=thresh, linetype="dotted") +p<-p+ylab(sprintf("%s_score_1-%gX_Cmax",metric,dose)) +p<-p+coord_flip() +p<-p+scale_color_brewer(NULL, palette="Set1") +p<-p+theme_bw() +print(p) +dev.off() + +# get ordinal logistic regression thresholds +wtdf<-merge(wtdf,colordf) + +wtdf$class <- ordered(2-wtdf$classidx) #change the order because in Kelly's code "high" is first class (0). + #but in mycompute_TdP_error.R "high" is 2 as planned + +# fit all data using single predictor +datadf<-wtdf[,c("drug","class","sample",metric)] +#datadf$drug<- factor(datadf$drug, levels=rev(desiredorder)) +maxsamp <- 2000 +datadf<-datadf[datadf$sample<=maxsamp,] +maxreplacedidx<-0 #to break the perfect correlation within drugs for GEE methods + #for ordinary lrm can use 0 +if(maxreplacedidx !=0){ +test<-do.call(rbind,by(datadf, datadf$drug, function(x) { + class<-x$class; fullvec<-0:2; + for(i in 1:maxreplacedidx){ + c<-class[i]; idx<-fullvec%in%c;class[i]<-sample(fullvec[!idx],1); + } + x$class<-class;return(x) + })) +datadf<-test[order(test$drug,test$sample),] #sort by sample (time) is required by repolr but not ordLORgee +} + + +if(fitmethod=="lrm"){ +dd<-datadist(datadf) +options(datadist="dd") +}else if(fitmethod=="repolr"){ #repolr doesn't like factors! and doesn't like class being 0? + +datadf$class<-as.integer(datadf$class) #if -1 then the values are the same as factor (0,1,2) +} +lmod<-try_fit(datadf, metric, 0) # no penalty +print(lmod) + +if(inherits(lmod, "try-error")){ + print(sprintf("fitting dose %d failed! skipping...",dose)) + next +} + +# save coefficients +if(fitmethod=="polr"){ + print(sprintf("Convergence code: %d, Number of iterations: %d",lmod$convergence,lmod$niter)) + cf<-lmod$coefficients[[metric]] + ints<-lmod$zeta + cfvec<-c() + for(kint in 1:length(ints)) + cfvec[[paste0("intercept",kint)]]<-ints[[kint]] + cfvec[["slope"]]<-cf +}else{ + print(sprintf("Convergence failure: %s",lmod$fail)) + cf<-coefficients(lmod) + cfvec<-c() + for(kint in 1:(length(cf)-1)) + cfvec[[paste0("intercept",kint)]]<-cf[[kint]] + cfvec[["slope"]]<-cf[[length(cf)]] +} +t1<- -cfvec[["intercept1"]]/cfvec[["slope"]] +t2<- -cfvec[["intercept2"]]/cfvec[["slope"]] +#use formal math +ebeta1<-exp(-cfvec[["intercept1"]]); ebeta2<- exp(-cfvec[["intercept2"]]) +t1 <- log(ebeta1*ebeta2/-(2*ebeta1-ebeta2))/cfvec[["slope"]] +t2 <- log(exp(-cfvec[["intercept2"]])-2*exp(-cfvec[["intercept1"]]))/cfvec[["slope"]] + +thresholds<-c(High=t2, Intermediate=t1) +print(thresholds) + +high1<-t2;intermediate1<-t1; + +#meih + + +#meio +#mei 28 drug t1 t2 for +#meih + +xmdf<- as.data.frame(readRDS(paste0("../",dataset,"_AP_simulation/results/uncertainty/metrics.rds"))) + +xmthreshold1<-list()#28drug +xmthreshold2<-list() +xmdrug<-unique(xmdf$drug) + +for (xmn in 1:length(xmdrug)){ +thresholdslist1<-list()#16thresholds +thresholdslist2<-list() +xmnum<-seq(0.9,1.1,by=0.1) + +for (m in 1:length(xmnum)){ + +xm1<-xmdf[xmdf$drug!=xmdrug[xmn],] +xm2<-xmdf[xmdf$drug==xmdrug[xmn],] +xm2$qNet<-xm2$qNet*xmnum[m] +#meio +xmwtdf<-rbind(xm1,xm2) + + +source("fit_funs.R") +if(fitmethod=="polr"){ + library(MASS) + try_fit<-try_polr +}else if(fitmethod=="lrm"){ + library(rms) + try_fit<-try_lrm +}else if(fitmethod=="repolr"){ + require(repolr) + try_fit<-try_repolr +}else if(fitmethod=="ordLORgee"){ + require(multgee) + try_fit<-try_ordLORgee +} + +# read in dataset + +thrdf<-data.frame() + +if(metric !="model5"){ +df<-xmwtdf +df<-df[df$drug!="control" & df$dose>0,] +todrop<-is.na(df$max_dv)#df$noDepols==250 +print(sprintf("Number of depolarization failures: %d/%d",sum(todrop),nrow(df))) +df<-df[!todrop,] +df$class<-df$max_dv>0 +df$qNet <- df$qNet/1000 +print(sprintf("Number of EADs: %d/%d",sum(df$class),nrow(df))) + + +if(dataset=="original"){ + nboots<-0 +}else{ + #nboots<-max(df$boot) # using all bootstraps + nboots<-2000 +} + +cols<-c("drug","sample") + + +# create thresholds for each range of doses +print(sprintf("%s, %s scale, CL = %d ms, nboot = %d, dose <= %d Cmax",dataset,scale,CL,nboots,dose)) + +brows<-df$dose<=dose +wtdf<-aggregate(df[brows,metric,drop=FALSE], by=as.list(df[brows,cols]), mean) # equally weighted across doses +wtdf$drug<-as.factor(wtdf$drug) +}else{ #if metric == model5 + if(dataset=="pureHTS"){ #shouldn't use "hybrid" as dataset here! + Hilldataset<- "pureHTS" + }else if(dataset=="pureManual"){ + Hilldataset<-"pureManual" #note I didn't use validationManual_Hill_fitting here + } + wtdf<-data.frame(drug=rep(colordf$drug, each=2000),sample=rep(1:2000,28),model5=NA) + for(drug in colordf$drug){ + IC50table<- read.delim(paste0("/scratch/lizhi/cardio/UQ/",Hilldataset,"_Hill_fitting/results/",drug,"/IC50_samples.csv"),sep=",") + wtdf$model5[wtdf$drug==drug]<- with(IC50table, -log(ICaL_IC50) - -log(hERG_IC50)) + }#for drug + + + + +}#if metric !=model5 +# get 95% CI +q2.5<-aggregate(wtdf[,metric,drop=FALSE], by=list(drug=wtdf[,c("drug")]), + FUN=function(x) quantile(x,probs=0.025,na.rm=TRUE)) +q97.5<-aggregate(wtdf[,metric,drop=FALSE], by=list(drug=wtdf[,c("drug")]), + FUN=function(x) quantile(x,probs=0.975,na.rm=TRUE)) + +q50<-aggregate(wtdf[,metric,drop=FALSE], by=list(drug=wtdf[,c("drug")]), + FUN=function(x) quantile(x,probs=0.5,na.rm=TRUE)) +cidf<-merge(q2.5,q97.5,by=c("drug"),suffixes=c("_0.025","_0.975")) +cidf<-merge(cidf, q50, by="drug") +colnames(cidf)[4]<-paste0(metric,"_0.5") +outdf<-cidf + +outfile<-sprintf("%s/%s_allCIthresholds.rds",outdir,metric) +saveRDS(outdf, outfile) + + +outdf<- merge(colordf, outdf,by="drug") +cidf<-outdf + +desiredorder<-drugnames<-c("ibutilide","vandetanib","bepridil","azimilide","dofetilide","quinidine","sotalol", "disopyramide", + "domperidone","pimozide","droperidol","cisapride","terfenadine","astemizole","ondansetron","clarithromycin","chlorpromazine","clozapine","risperidone", + "tamoxifen","loratadine","verapamil","metoprolol","nitrendipine","diltiazem","ranolazine","nifedipine","mexiletine") + + +outdf$drug<- factor(outdf$drug, levels=rev(desiredorder)) +outdf$class<- 2-outdf$classidx +lower<-paste(metric,0.025,sep="_") +upper<-paste(metric,0.975,sep="_") +middle<-paste(metric,0.5,sep="_") +lower_bds<-aggregate(outdf[,lower], by=list(risk=outdf$class), FUN=min) +upper_bds<-aggregate(outdf[,upper], by=list(risk=outdf$class), FUN=max) +lower_bds<-lower_bds[match(c(0:2),lower_bds$risk),] +upper_bds<-upper_bds[match(c(0:2),upper_bds$risk),] +thresholds<-apply(cbind(head(upper_bds$x,-1),tail(lower_bds$x,-1)), 1, max) +thresholds<-sort(thresholds) +names(thresholds)<-c("High","Intermediate") + +newrow<-data.frame(last_dose=dose, type="95CI", t(thresholds)) +thrdf<-rbind(thrdf,newrow) + +figfile<-sub("results","figs",sub(".rds",".pdf",outfile)) +pdf(figfile, width=8, height=4) +p<-ggplot(outdf, aes(x=drug, color=as.character(class))) #ggplot2 doesn't like color idx being numbers +p<-p+geom_errorbar(aes_string(ymin=lower, ymax=upper)) +for(thresh in thresholds) + p<-p+geom_hline(yintercept=thresh, linetype="dotted") +p<-p+ylab(sprintf("%s_score_1-%gX_Cmax",metric,dose)) +p<-p+coord_flip() +p<-p+scale_color_brewer(NULL, palette="Set1") +p<-p+theme_bw() +print(p) +dev.off() + +# get ordinal logistic regression thresholds +wtdf<-merge(wtdf,colordf) + +wtdf$class <- ordered(2-wtdf$classidx) #change the order because in Kelly's code "high" is first class (0). + #but in mycompute_TdP_error.R "high" is 2 as planned + +# fit all data using single predictor +datadf<-wtdf[,c("drug","class","sample",metric)] +#datadf$drug<- factor(datadf$drug, levels=rev(desiredorder)) +maxsamp <- 2000 +datadf<-datadf[datadf$sample<=maxsamp,] +maxreplacedidx<-0 #to break the perfect correlation within drugs for GEE methods + #for ordinary lrm can use 0 +if(maxreplacedidx !=0){ +test<-do.call(rbind,by(datadf, datadf$drug, function(x) { + class<-x$class; fullvec<-0:2; + for(i in 1:maxreplacedidx){ + c<-class[i]; idx<-fullvec%in%c;class[i]<-sample(fullvec[!idx],1); + } + x$class<-class;return(x) + })) +datadf<-test[order(test$drug,test$sample),] #sort by sample (time) is required by repolr but not ordLORgee +} + + +if(fitmethod=="lrm"){ +dd<-datadist(datadf) +options(datadist="dd") +}else if(fitmethod=="repolr"){ #repolr doesn't like factors! and doesn't like class being 0? + +datadf$class<-as.integer(datadf$class) #if -1 then the values are the same as factor (0,1,2) +} +lmod<-try_fit(datadf, metric, 0) # no penalty +print(lmod) + +if(inherits(lmod, "try-error")){ + print(sprintf("fitting dose %d failed! skipping...",dose)) + next +} + +# save coefficients +if(fitmethod=="polr"){ + print(sprintf("Convergence code: %d, Number of iterations: %d",lmod$convergence,lmod$niter)) + cf<-lmod$coefficients[[metric]] + ints<-lmod$zeta + cfvec<-c() + for(kint in 1:length(ints)) + cfvec[[paste0("intercept",kint)]]<-ints[[kint]] + cfvec[["slope"]]<-cf +}else{ + print(sprintf("Convergence failure: %s",lmod$fail)) + cf<-coefficients(lmod) + cfvec<-c() + for(kint in 1:(length(cf)-1)) + cfvec[[paste0("intercept",kint)]]<-cf[[kint]] + cfvec[["slope"]]<-cf[[length(cf)]] +} +t1<- -cfvec[["intercept1"]]/cfvec[["slope"]] +t2<- -cfvec[["intercept2"]]/cfvec[["slope"]] +#use formal math +ebeta1<-exp(-cfvec[["intercept1"]]); ebeta2<- exp(-cfvec[["intercept2"]]) +t1 <- log(ebeta1*ebeta2/-(2*ebeta1-ebeta2))/cfvec[["slope"]] +t2 <- log(exp(-cfvec[["intercept2"]])-2*exp(-cfvec[["intercept1"]]))/cfvec[["slope"]] + +#thresholds<-c(High=t2, Intermediate=t1) + +#meih + + + +thresholdslist1[[m]]<-c(xmdrug[xmn],xmnum[m],t1,intermediate1,"threshold2") + +thresholdslist2[[m]]<-c(xmdrug[xmn],xmnum[m],t2,high1,"threshold1") +print(thresholdslist1[[m]]) + +} +xmthreshold1[[xmn]]<-do.call(rbind,thresholdslist1) +xmthreshold2[[xmn]]<-do.call(rbind,thresholdslist2) +} + +xmthreshold11<-do.call(rbind,xmthreshold1) +xmthreshold12<-do.call(rbind,xmthreshold2) +xmthreshold13<-rbind(xmthreshold11,xmthreshold12) + + +print(xmthreshold13) +print(xmdrug) +print(intermediate1) +print(high1) +write.csv(xmthreshold13,"28_sens.csv")