Pharmacology & ToxicologyJournal of Chemical Information and ModelingPeer-reviewed
Benchmarking of Small Molecule Feature Representations for hERG, Nav1.5, and Cav1.2 Cardiotoxicity Prediction
Issar Arab, Kristof Egghe, Kris Laukens…·Wout Bittremieux
This paper benchmarks small molecule feature representations for predicting cardiotoxicity against hERG, Nav1.5, and Cav1.2 channels using a new dataset and tool.