Data for: hERG Liability Classification Models Using Machine Learning Techniques

Published: 13 May 2019| Version 1 | DOI: 10.17632/32pdx7y72x.1
Rajendra Kristam,
Keerthi Praba S,
Leela Sarath Kumar Konda


This file pertains 1) all SMILES(except the evaluation set-3 which contains the compound data from in-house proprietary projects) with respective pIC50 values that were used in training and evaluating the models 2) list of descriptors that were used to build models