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