Benchmarking of Small Molecule Feature Representations for hERG, Nav1.5, and Cav1.2 Cardiotoxicity Prediction
I. Arab, K. Egghe, K. Laukens, K. Chen, K. Barakat, W. 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.
bioRxiv · Aug 15, 2023Pharmacology & Toxicology