Closed kyonofx closed 4 years ago
a simple script that select all rows in a prediction that match some row in a reference csv file. Let me know if some other signature is more desirable. (Some drugs are of the same SMILES. all are included.)
Thanks, Felix
a simple script that select all rows in a prediction that match some row in a reference csv file. Let me know if some other signature is more desirable. (Some drugs are of the same SMILES. all are included.)
Thanks, Felix