SMILES_project

L: List all loaded SMILES. C: count the number of times each sub-string from an external list (given file) occurs in the SMILES strings of the list. (not a sub-structure search) M: List molecular formulas of all loaded molecules. LMW: List molecular weights of all loaded molecules. D: compare a given pair of molecules from their SMILES representation (calculate their dissim- ilarity, i.e., sum of squared differences between the number of occurrences of the sub-strings in two SMILES). I: input a new SMILES string to be added to the current list, if valid (if not, the application reports it found a problem and waits for the user’s to input a new command). H: help – list all commands. Q: quit – quit the application.