CardioGenAI: a machine learning-based framework for re-engineering drugs for reduced hERG liability

Abstract The link between in vitro hERG ion channel inhibition and subsequent in vivo QT interval prolongation, a critical risk factor for the development of arrythmias such as Torsade de Pointes, is so well established that in vitro hERG activity alone is often sufficient to end the development of...

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Bibliographic Details
Main Authors: Gregory W. Kyro, Matthew T. Martin, Eric D. Watt, Victor S. Batista
Format: Article
Language:English
Published: BMC 2025-03-01
Series:Journal of Cheminformatics
Subjects:
Online Access:https://doi.org/10.1186/s13321-025-00976-8
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