External Validation and Benefits of Trainability for the Prediction of hERG Inhibition

Studies of hERG potassium ion channel inhibition constitute an emerging field in pharmacological safety research. In recent years, several promising drugs have been withdrawn from the market due to a number of sudden cardiac deaths triggered by interaction with the hERG channel. Thus, early identification of leads possessing potential safety issues is of extreme importance to prevent costly failures of R&D projects. Here we present an in silico approach that provides an easy and straightforward way to obtain robust predictions of hERG-related cardiotoxicity of drug candidates.