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Updated: May 24, 2025

Drug Repurposing Hypothesis Generation Using the "RE:fine Drugs" System
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CardioGenAI:基于机器学习的框架,用于重新设计药物,以减少hERG责任

Gregory W Kyro1,2, Matthew T Martin3, Eric D Watt3

  • 1Department of Chemistry, Yale University, New Haven, CT, 06511, USA. gregory.kyro@yale.edu.

Journal of cheminformatics
|March 5, 2025
PubMed
概括

CardioGenAI使用机器学习来重新设计药物,减少hERG通道活动并预防心律失常. 这一框架有助于通过优化药物安全性,同时保持有效性来拯救药物开发计划.

关键词:
深度学习是一种深度学习.药物发现 药物发现生成性AI是一种人工智能.图形神经网络是一个神经网络.机器学习是机器学习.分子优化分子优化变压器 变压器 变压器希尔格 (HERG) 是一个

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