drug-database.ipynb

{
 "cells": [
  {
   "cell_type": "code",
   "execution_count": 1,
   "metadata": {},
   "outputs": [],
   "source": [
    "import pandas as pd\n",
    "import numpy as np"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>type</th>\n",
       "      <th>created</th>\n",
       "      <th>updated</th>\n",
       "      <th>{http://www.drugbank.ca}drugbank-id</th>\n",
       "      <th>{http://www.drugbank.ca}name</th>\n",
       "      <th>{http://www.drugbank.ca}description</th>\n",
       "      <th>{http://www.drugbank.ca}cas-number</th>\n",
       "      <th>{http://www.drugbank.ca}unii</th>\n",
       "      <th>{http://www.drugbank.ca}state</th>\n",
       "      <th>{http://www.drugbank.ca}groups</th>\n",
       "      <th>...</th>\n",
       "      <th>{http://www.drugbank.ca}reactions</th>\n",
       "      <th>{http://www.drugbank.ca}snp-effects</th>\n",
       "      <th>{http://www.drugbank.ca}snp-adverse-drug-reactions</th>\n",
       "      <th>{http://www.drugbank.ca}targets</th>\n",
       "      <th>{http://www.drugbank.ca}enzymes</th>\n",
       "      <th>{http://www.drugbank.ca}carriers</th>\n",
       "      <th>{http://www.drugbank.ca}transporters</th>\n",
       "      <th>{http://www.drugbank.ca}average-mass</th>\n",
       "      <th>{http://www.drugbank.ca}monoisotopic-mass</th>\n",
       "      <th>{http://www.drugbank.ca}calculated-properties</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>biotech</td>\n",
       "      <td>2005-06-13</td>\n",
       "      <td>2020-11-02</td>\n",
       "      <td>BIOD00024</td>\n",
       "      <td>Lepirudin</td>\n",
       "      <td>Lepirudin is identical to natural hirudin exce...</td>\n",
       "      <td>138068-37-8</td>\n",
       "      <td>Y43GF64R34</td>\n",
       "      <td>liquid</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>biotech</td>\n",
       "      <td>2005-06-13</td>\n",
       "      <td>2021-01-01</td>\n",
       "      <td>BIOD00071</td>\n",
       "      <td>Cetuximab</td>\n",
       "      <td>Cetuximab is an epidermal growth factor recept...</td>\n",
       "      <td>205923-56-4</td>\n",
       "      <td>PQX0D8J21J</td>\n",
       "      <td>liquid</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>biotech</td>\n",
       "      <td>2005-06-13</td>\n",
       "      <td>2021-01-01</td>\n",
       "      <td>BIOD00001</td>\n",
       "      <td>Dornase alfa</td>\n",
       "      <td>Dornase alfa is a biosynthetic form of human d...</td>\n",
       "      <td>143831-71-4</td>\n",
       "      <td>953A26OA1Y</td>\n",
       "      <td>liquid</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>biotech</td>\n",
       "      <td>2005-06-13</td>\n",
       "      <td>2020-09-03</td>\n",
       "      <td>BIOD00084</td>\n",
       "      <td>Denileukin diftitox</td>\n",
       "      <td>A recombinant DNA-derived cytotoxic protein co...</td>\n",
       "      <td>173146-27-5</td>\n",
       "      <td>25E79B5CTM</td>\n",
       "      <td>liquid</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>biotech</td>\n",
       "      <td>2005-06-13</td>\n",
       "      <td>2021-01-01</td>\n",
       "      <td>BIOD00052</td>\n",
       "      <td>Etanercept</td>\n",
       "      <td>Dimeric fusion protein consisting of the extra...</td>\n",
       "      <td>185243-69-0</td>\n",
       "      <td>OP401G7OJC</td>\n",
       "      <td>liquid</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>5</th>\n",
       "      <td>small molecule</td>\n",
       "      <td>2005-06-13</td>\n",
       "      <td>2021-01-01</td>\n",
       "      <td>DB02351</td>\n",
       "      <td>Bivalirudin</td>\n",
       "      <td>Bivalirudin is a synthetic 20 residue peptide ...</td>\n",
       "      <td>128270-60-0</td>\n",
       "      <td>TN9BEX005G</td>\n",
       "      <td>solid</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>2180.2853</td>\n",
       "      <td>2178.985813</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>6</th>\n",
       "      <td>small molecule</td>\n",
       "      <td>2005-06-13</td>\n",
       "      <td>2021-01-01</td>\n",
       "      <td>BIOD00009</td>\n",
       "      <td>Leuprolide</td>\n",
       "      <td>Leuprolide is a synthetic 9-residue peptide an...</td>\n",
       "      <td>53714-56-0</td>\n",
       "      <td>EFY6W0M8TG</td>\n",
       "      <td>solid</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>1209.3983</td>\n",
       "      <td>1208.645462</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>7</th>\n",
       "      <td>biotech</td>\n",
       "      <td>2005-06-13</td>\n",
       "      <td>2021-01-01</td>\n",
       "      <td>BIOD00043</td>\n",
       "      <td>Peginterferon alfa-2a</td>\n",
       "      <td>Peginterferon alfa-2a is a form of recombinant...</td>\n",
       "      <td>198153-51-4</td>\n",
       "      <td>Q46947FE7K</td>\n",
       "      <td>liquid</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>8</th>\n",
       "      <td>biotech</td>\n",
       "      <td>2005-06-13</td>\n",
       "      <td>2021-01-01</td>\n",
       "      <td>BIOD00050</td>\n",
       "      <td>Alteplase</td>\n",
       "      <td>Human tissue plasminogen activator, purified, ...</td>\n",
       "      <td>105857-23-6</td>\n",
       "      <td>1RXS4UE564</td>\n",
       "      <td>liquid</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>9</th>\n",
       "      <td>biotech</td>\n",
       "      <td>2005-06-13</td>\n",
       "      <td>2020-09-03</td>\n",
       "      <td>BIOD00033</td>\n",
       "      <td>Sermorelin</td>\n",
       "      <td>Sermorelin acetate is the acetate salt of an a...</td>\n",
       "      <td>86168-78-7</td>\n",
       "      <td>89243S03TE</td>\n",
       "      <td>liquid</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>10</th>\n",
       "      <td>biotech</td>\n",
       "      <td>2005-06-13</td>\n",
       "      <td>2020-09-03</td>\n",
       "      <td>DB00084</td>\n",
       "      <td>Interferon alfa-n1</td>\n",
       "      <td>Purified, natural (n is for natural) glycosyla...</td>\n",
       "      <td>74899-72-2</td>\n",
       "      <td>41697D4Z5C</td>\n",
       "      <td>liquid</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>11</th>\n",
       "      <td>biotech</td>\n",
       "      <td>2005-06-13</td>\n",
       "      <td>2021-01-01</td>\n",
       "      <td>BIOD00032</td>\n",
       "      <td>Darbepoetin alfa</td>\n",
       "      <td>Human erythropoietin with 2 aa substitutions t...</td>\n",
       "      <td>209810-58-2</td>\n",
       "      <td>15UQ94PT4P</td>\n",
       "      <td>liquid</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>12</th>\n",
       "      <td>biotech</td>\n",
       "      <td>2005-06-13</td>\n",
       "      <td>2020-11-02</td>\n",
       "      <td>BIOD00030</td>\n",
       "      <td>Urokinase</td>\n",
       "      <td>Urokinase is an endogenous peptide that is cle...</td>\n",
       "      <td>9039-53-6</td>\n",
       "      <td>83G67E21XI</td>\n",
       "      <td>liquid</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>13</th>\n",
       "      <td>small molecule</td>\n",
       "      <td>2005-06-13</td>\n",
       "      <td>2021-01-01</td>\n",
       "      <td>BIOD00113</td>\n",
       "      <td>Goserelin</td>\n",
       "      <td>Goserelin is a synthetic hormone. In men, it s...</td>\n",
       "      <td>65807-02-5</td>\n",
       "      <td>0F65R8P09N</td>\n",
       "      <td>solid</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>1269.4105</td>\n",
       "      <td>1268.641439</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>14</th>\n",
       "      <td>biotech</td>\n",
       "      <td>2005-06-13</td>\n",
       "      <td>2020-12-24</td>\n",
       "      <td>BIOD00013</td>\n",
       "      <td>Reteplase</td>\n",
       "      <td>Human tissue plasminogen activator, purified, ...</td>\n",
       "      <td>133652-38-7</td>\n",
       "      <td>DQA630RIE9</td>\n",
       "      <td>liquid</td>\n",
       "      <td>NaN</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>15 rows × 58 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "              type     created     updated  \\\n",
       "0          biotech  2005-06-13  2020-11-02   \n",
       "1          biotech  2005-06-13  2021-01-01   \n",
       "2          biotech  2005-06-13  2021-01-01   \n",
       "3          biotech  2005-06-13  2020-09-03   \n",
       "4          biotech  2005-06-13  2021-01-01   \n",
       "5   small molecule  2005-06-13  2021-01-01   \n",
       "6   small molecule  2005-06-13  2021-01-01   \n",
       "7          biotech  2005-06-13  2021-01-01   \n",
       "8          biotech  2005-06-13  2021-01-01   \n",
       "9          biotech  2005-06-13  2020-09-03   \n",
       "10         biotech  2005-06-13  2020-09-03   \n",
       "11         biotech  2005-06-13  2021-01-01   \n",
       "12         biotech  2005-06-13  2020-11-02   \n",
       "13  small molecule  2005-06-13  2021-01-01   \n",
       "14         biotech  2005-06-13  2020-12-24   \n",
       "\n",
       "   {http://www.drugbank.ca}drugbank-id {http://www.drugbank.ca}name  \\\n",
       "0                            BIOD00024                    Lepirudin   \n",
       "1                            BIOD00071                    Cetuximab   \n",
       "2                            BIOD00001                 Dornase alfa   \n",
       "3                            BIOD00084          Denileukin diftitox   \n",
       "4                            BIOD00052                   Etanercept   \n",
       "5                              DB02351                  Bivalirudin   \n",
       "6                            BIOD00009                   Leuprolide   \n",
       "7                            BIOD00043        Peginterferon alfa-2a   \n",
       "8                            BIOD00050                    Alteplase   \n",
       "9                            BIOD00033                   Sermorelin   \n",
       "10                             DB00084           Interferon alfa-n1   \n",
       "11                           BIOD00032             Darbepoetin alfa   \n",
       "12                           BIOD00030                    Urokinase   \n",
       "13                           BIOD00113                    Goserelin   \n",
       "14                           BIOD00013                    Reteplase   \n",
       "\n",
       "                  {http://www.drugbank.ca}description  \\\n",
       "0   Lepirudin is identical to natural hirudin exce...   \n",
       "1   Cetuximab is an epidermal growth factor recept...   \n",
       "2   Dornase alfa is a biosynthetic form of human d...   \n",
       "3   A recombinant DNA-derived cytotoxic protein co...   \n",
       "4   Dimeric fusion protein consisting of the extra...   \n",
       "5   Bivalirudin is a synthetic 20 residue peptide ...   \n",
       "6   Leuprolide is a synthetic 9-residue peptide an...   \n",
       "7   Peginterferon alfa-2a is a form of recombinant...   \n",
       "8   Human tissue plasminogen activator, purified, ...   \n",
       "9   Sermorelin acetate is the acetate salt of an a...   \n",
       "10  Purified, natural (n is for natural) glycosyla...   \n",
       "11  Human erythropoietin with 2 aa substitutions t...   \n",
       "12  Urokinase is an endogenous peptide that is cle...   \n",
       "13  Goserelin is a synthetic hormone. In men, it s...   \n",
       "14  Human tissue plasminogen activator, purified, ...   \n",
       "\n",
       "   {http://www.drugbank.ca}cas-number {http://www.drugbank.ca}unii  \\\n",
       "0                         138068-37-8                   Y43GF64R34   \n",
       "1                         205923-56-4                   PQX0D8J21J   \n",
       "2                         143831-71-4                   953A26OA1Y   \n",
       "3                         173146-27-5                   25E79B5CTM   \n",
       "4                         185243-69-0                   OP401G7OJC   \n",
       "5                         128270-60-0                   TN9BEX005G   \n",
       "6                          53714-56-0                   EFY6W0M8TG   \n",
       "7                         198153-51-4                   Q46947FE7K   \n",
       "8                         105857-23-6                   1RXS4UE564   \n",
       "9                          86168-78-7                   89243S03TE   \n",
       "10                         74899-72-2                   41697D4Z5C   \n",
       "11                        209810-58-2                   15UQ94PT4P   \n",
       "12                          9039-53-6                   83G67E21XI   \n",
       "13                         65807-02-5                   0F65R8P09N   \n",
       "14                        133652-38-7                   DQA630RIE9   \n",
       "\n",
       "   {http://www.drugbank.ca}state  {http://www.drugbank.ca}groups  ...  \\\n",
       "0                         liquid                             NaN  ...   \n",
       "1                         liquid                             NaN  ...   \n",
       "2                         liquid                             NaN  ...   \n",
       "3                         liquid                             NaN  ...   \n",
       "4                         liquid                             NaN  ...   \n",
       "5                          solid                             NaN  ...   \n",
       "6                          solid                             NaN  ...   \n",
       "7                         liquid                             NaN  ...   \n",
       "8                         liquid                             NaN  ...   \n",
       "9                         liquid                             NaN  ...   \n",
       "10                        liquid                             NaN  ...   \n",
       "11                        liquid                             NaN  ...   \n",
       "12                        liquid                             NaN  ...   \n",
       "13                         solid                             NaN  ...   \n",
       "14                        liquid                             NaN  ...   \n",
       "\n",
       "    {http://www.drugbank.ca}reactions {http://www.drugbank.ca}snp-effects  \\\n",
       "0                                 NaN                                 NaN   \n",
       "1                                 NaN                                 NaN   \n",
       "2                                 NaN                                 NaN   \n",
       "3                                 NaN                                 NaN   \n",
       "4                                 NaN                                 NaN   \n",
       "5                                 NaN                                 NaN   \n",
       "6                                 NaN                                 NaN   \n",
       "7                                 NaN                                 NaN   \n",
       "8                                 NaN                                 NaN   \n",
       "9                                 NaN                                 NaN   \n",
       "10                                NaN                                 NaN   \n",
       "11                                NaN                                 NaN   \n",
       "12                                NaN                                 NaN   \n",
       "13                                NaN                                 NaN   \n",
       "14                                NaN                                 NaN   \n",
       "\n",
       "   {http://www.drugbank.ca}snp-adverse-drug-reactions  \\\n",
       "0                                                 NaN   \n",
       "1                                                 NaN   \n",
       "2                                                 NaN   \n",
       "3                                                 NaN   \n",
       "4                                                 NaN   \n",
       "5                                                 NaN   \n",
       "6                                                 NaN   \n",
       "7                                                 NaN   \n",
       "8                                                 NaN   \n",
       "9                                                 NaN   \n",
       "10                                                NaN   \n",
       "11                                                NaN   \n",
       "12                                                NaN   \n",
       "13                                                NaN   \n",
       "14                                                NaN   \n",
       "\n",
       "   {http://www.drugbank.ca}targets {http://www.drugbank.ca}enzymes  \\\n",
       "0                              NaN                             NaN   \n",
       "1                              NaN                             NaN   \n",
       "2                              NaN                             NaN   \n",
       "3                              NaN                             NaN   \n",
       "4                              NaN                             NaN   \n",
       "5                              NaN                             NaN   \n",
       "6                              NaN                             NaN   \n",
       "7                              NaN                             NaN   \n",
       "8                              NaN                             NaN   \n",
       "9                              NaN                             NaN   \n",
       "10                             NaN                             NaN   \n",
       "11                             NaN                             NaN   \n",
       "12                             NaN                             NaN   \n",
       "13                             NaN                             NaN   \n",
       "14                             NaN                             NaN   \n",
       "\n",
       "   {http://www.drugbank.ca}carriers {http://www.drugbank.ca}transporters  \\\n",
       "0                               NaN                                  NaN   \n",
       "1                               NaN                                  NaN   \n",
       "2                               NaN                                  NaN   \n",
       "3                               NaN                                  NaN   \n",
       "4                               NaN                                  NaN   \n",
       "5                               NaN                                  NaN   \n",
       "6                               NaN                                  NaN   \n",
       "7                               NaN                                  NaN   \n",
       "8                               NaN                                  NaN   \n",
       "9                               NaN                                  NaN   \n",
       "10                              NaN                                  NaN   \n",
       "11                              NaN                                  NaN   \n",
       "12                              NaN                                  NaN   \n",
       "13                              NaN                                  NaN   \n",
       "14                              NaN                                  NaN   \n",
       "\n",
       "   {http://www.drugbank.ca}average-mass  \\\n",
       "0                                   NaN   \n",
       "1                                   NaN   \n",
       "2                                   NaN   \n",
       "3                                   NaN   \n",
       "4                                   NaN   \n",
       "5                             2180.2853   \n",
       "6                             1209.3983   \n",
       "7                                   NaN   \n",
       "8                                   NaN   \n",
       "9                                   NaN   \n",
       "10                                  NaN   \n",
       "11                                  NaN   \n",
       "12                                  NaN   \n",
       "13                            1269.4105   \n",
       "14                                  NaN   \n",
       "\n",
       "   {http://www.drugbank.ca}monoisotopic-mass  \\\n",
       "0                                        NaN   \n",
       "1                                        NaN   \n",
       "2                                        NaN   \n",
       "3                                        NaN   \n",
       "4                                        NaN   \n",
       "5                                2178.985813   \n",
       "6                                1208.645462   \n",
       "7                                        NaN   \n",
       "8                                        NaN   \n",
       "9                                        NaN   \n",
       "10                                       NaN   \n",
       "11                                       NaN   \n",
       "12                                       NaN   \n",
       "13                               1268.641439   \n",
       "14                                       NaN   \n",
       "\n",
       "   {http://www.drugbank.ca}calculated-properties  \n",
       "0                                            NaN  \n",
       "1                                            NaN  \n",
       "2                                            NaN  \n",
       "3                                            NaN  \n",
       "4                                            NaN  \n",
       "5                                            NaN  \n",
       "6                                            NaN  \n",
       "7                                            NaN  \n",
       "8                                            NaN  \n",
       "9                                            NaN  \n",
       "10                                           NaN  \n",
       "11                                           NaN  \n",
       "12                                           NaN  \n",
       "13                                           NaN  \n",
       "14                                           NaN  \n",
       "\n",
       "[15 rows x 58 columns]"
      ]
     },
     "execution_count": 2,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "df = pd.read_xml(\"full database.xml\")\n",
    "df.head(15)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "<class 'pandas.core.frame.DataFrame'>\n",
      "RangeIndex: 14315 entries, 0 to 14314\n",
      "Data columns (total 58 columns):\n",
      " #   Column                                              Non-Null Count  Dtype  \n",
      "---  ------                                              --------------  -----  \n",
      " 0   type                                                14315 non-null  object \n",
      " 1   created                                             14315 non-null  object \n",
      " 2   updated                                             14315 non-null  object \n",
      " 3   {http://www.drugbank.ca}drugbank-id                 14315 non-null  object \n",
      " 4   {http://www.drugbank.ca}name                        14315 non-null  object \n",
      " 5   {http://www.drugbank.ca}description                 8399 non-null   object \n",
      " 6   {http://www.drugbank.ca}cas-number                  8943 non-null   object \n",
      " 7   {http://www.drugbank.ca}unii                        9914 non-null   object \n",
      " 8   {http://www.drugbank.ca}state                       9036 non-null   object \n",
      " 9   {http://www.drugbank.ca}groups                      0 non-null      float64\n",
      " 10  {http://www.drugbank.ca}general-references          0 non-null      float64\n",
      " 11  {http://www.drugbank.ca}synthesis-reference         1536 non-null   object \n",
      " 12  {http://www.drugbank.ca}indication                  4031 non-null   object \n",
      " 13  {http://www.drugbank.ca}pharmacodynamics            2902 non-null   object \n",
      " 14  {http://www.drugbank.ca}mechanism-of-action         3720 non-null   object \n",
      " 15  {http://www.drugbank.ca}toxicity                    2272 non-null   object \n",
      " 16  {http://www.drugbank.ca}metabolism                  2140 non-null   object \n",
      " 17  {http://www.drugbank.ca}absorption                  2246 non-null   object \n",
      " 18  {http://www.drugbank.ca}half-life                   2223 non-null   object \n",
      " 19  {http://www.drugbank.ca}protein-binding             1767 non-null   object \n",
      " 20  {http://www.drugbank.ca}route-of-elimination        1824 non-null   object \n",
      " 21  {http://www.drugbank.ca}volume-of-distribution      1503 non-null   object \n",
      " 22  {http://www.drugbank.ca}clearance                   1393 non-null   object \n",
      " 23  {http://www.drugbank.ca}classification              0 non-null      float64\n",
      " 24  {http://www.drugbank.ca}salts                       0 non-null      float64\n",
      " 25  {http://www.drugbank.ca}synonyms                    0 non-null      float64\n",
      " 26  {http://www.drugbank.ca}products                    0 non-null      float64\n",
      " 27  {http://www.drugbank.ca}international-brands        0 non-null      float64\n",
      " 28  {http://www.drugbank.ca}mixtures                    0 non-null      float64\n",
      " 29  {http://www.drugbank.ca}packagers                   0 non-null      float64\n",
      " 30  {http://www.drugbank.ca}manufacturers               0 non-null      float64\n",
      " 31  {http://www.drugbank.ca}prices                      0 non-null      float64\n",
      " 32  {http://www.drugbank.ca}categories                  0 non-null      float64\n",
      " 33  {http://www.drugbank.ca}affected-organisms          0 non-null      float64\n",
      " 34  {http://www.drugbank.ca}dosages                     0 non-null      float64\n",
      " 35  {http://www.drugbank.ca}atc-codes                   0 non-null      float64\n",
      " 36  {http://www.drugbank.ca}ahfs-codes                  0 non-null      float64\n",
      " 37  {http://www.drugbank.ca}pdb-entries                 0 non-null      float64\n",
      " 38  {http://www.drugbank.ca}fda-label                   1312 non-null   object \n",
      " 39  {http://www.drugbank.ca}msds                        1527 non-null   object \n",
      " 40  {http://www.drugbank.ca}patents                     0 non-null      float64\n",
      " 41  {http://www.drugbank.ca}food-interactions           0 non-null      float64\n",
      " 42  {http://www.drugbank.ca}drug-interactions           0 non-null      float64\n",
      " 43  {http://www.drugbank.ca}sequences                   0 non-null      float64\n",
      " 44  {http://www.drugbank.ca}experimental-properties     0 non-null      float64\n",
      " 45  {http://www.drugbank.ca}external-identifiers        0 non-null      float64\n",
      " 46  {http://www.drugbank.ca}external-links              0 non-null      float64\n",
      " 47  {http://www.drugbank.ca}pathways                    0 non-null      float64\n",
      " 48  {http://www.drugbank.ca}reactions                   0 non-null      float64\n",
      " 49  {http://www.drugbank.ca}snp-effects                 0 non-null      float64\n",
      " 50  {http://www.drugbank.ca}snp-adverse-drug-reactions  0 non-null      float64\n",
      " 51  {http://www.drugbank.ca}targets                     0 non-null      float64\n",
      " 52  {http://www.drugbank.ca}enzymes                     0 non-null      float64\n",
      " 53  {http://www.drugbank.ca}carriers                    0 non-null      float64\n",
      " 54  {http://www.drugbank.ca}transporters                0 non-null      float64\n",
      " 55  {http://www.drugbank.ca}average-mass                11172 non-null  float64\n",
      " 56  {http://www.drugbank.ca}monoisotopic-mass           11172 non-null  float64\n",
      " 57  {http://www.drugbank.ca}calculated-properties       0 non-null      float64\n",
      "dtypes: float64(35), object(23)\n",
      "memory usage: 6.3+ MB\n"
     ]
    }
   ],
   "source": [
    "df.info()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": [
    "df.to_csv(\"drugbank-database-pandas.csv\", index=False, header=True)"
   ]
  }
 ],
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