Ligand-based prediction of hERG-mediated cardiotoxicity based on the integration of different machine learning techniques

• Main Authors: Pietro Delre (Author), Giovanna J. Lavado (Author), Giuseppe Lamanna (Author), Michele Saviano (Author), Alessandra Roncaglioni (Author), Emilio Benfenati (Author), Giuseppe Felice Mangiatordi (Author), Domenico Gadaleta (Author)
• Format: Book
• Published: Frontiers Media S.A., 2022-09-01T00:00:00Z.
• Subjects: article
• Online Access: Connect to this object online.

Drug-induced cardiotoxicity is a common side effect of drugs in clinical use or under postmarket surveillance and is commonly due to off-target interactions with the cardiac human-ether-a-go-go-related (hERG) potassium channel. Therefore, prioritizing drug candidates based on their hERG blocking pot...