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基准测试 In Silico 代谢物预测工具与人类放射标记的ADME数据对比,用于小分子药物

Lei Gao1,2, Shu Yan1, Kaiyuan Feng1,3

  • 1Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201210, China.

Journal of chemical information and modeling
|February 12, 2026
PubMed
概括

预测药物代谢物的人工智能 (AI) 工具显示出希望,但还不能取代实验研究. 目前的AI模型提供了对人类新陈代谢的部分见解,有助于早期药物开发查.

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