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Updated: Jul 18, 2025

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量子机器学习预测药物发现中的ADME-Tox属性

Amandeep Singh Bhatia1, Mandeep Kaur Saggi2, Sabre Kais2

  • 1School of Electrical and Computer Engineering, Purdue University, West Lafayette, Indiana 47907, United States.

Journal of chemical information and modeling
|August 21, 2023
PubMed
概括

这项研究引入了一个量子机器学习框架,以更有效地预测药物吸收,分布,新陈代谢,分泌和毒性 (ADME-Tox) 特性. 量子模型在模拟中显著超过了经典方法,加速了药物发现.

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