The predictive qsar model for hERG inhibitors using bayesian and random forest classification method

Abstract

In this study, we have developed a ligand-based in-silico prediction model to classify chemical structures into hERG blockers using Bayesian and random forest modeling methods. These models were built based on patch clamp experimental results. The findings presented in this work indicate that Laplacian-modified naïve Bayesian classification with diverse selection is useful for predicting hERG inhibitors when a large data set is not obtained.