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

• Autori principali: Pietro Delre (Autore), Giovanna J. Lavado (Autore), Giuseppe Lamanna (Autore), Michele Saviano (Autore), Alessandra Roncaglioni (Autore), Emilio Benfenati (Autore), Giuseppe Felice Mangiatordi (Autore), Domenico Gadaleta (Autore)
• Natura: Libro
• Pubblicazione: Frontiers Media S.A., 2022-09-01T00:00:00Z.
• Soggetti: article
• Accesso online: 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...