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Exploring artificial intelligence approaches for predicting synergistic effects of active compounds in traditional Chinese medicine based on molecular compatibility theory.

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第一作者： Yiwen,Wang

第一单位： College of Pharmaceutical Engineering of Traditional Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China.

作者： Yiwen,Wang ^[1] ; Tong,Wu ^[1] ; Xingyu,Li ^[1] ; Qilan,Xu ^[1] ; Heshui,Yu ^[2] ; Shixin,Cen ^[2] ; Yi,Wang ^[3] ; Zheng,Li ^[4]

作者单位： College of Pharmaceutical Engineering of Traditional Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China. ^[1] College of Pharmaceutical Engineering of Traditional Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China; State Key Laboratory of Component-Based Chinese Medicine, Tianjin 301617, China; State Key Laboratory of Chinese Medicine Modernization, Tianjin 301617, China. ^[2] College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China. Electronic address: zjuwangyi@zju.edu.cn. ^[3] College of Pharmaceutical Engineering of Traditional Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China; State Key Laboratory of Component-Based Chinese Medicine, Tianjin 301617, China; State Key Laboratory of Chinese Medicine Modernization, Tianjin 301617, China; Tianjin Key Laboratory of Intelligent and Green Pharmaceuticals for Traditional Chinese Medicine, Tianjin 301617, China; Haihe Laboratory of Modern Chinese Medicine, Tianjin, 301617, China. Electronic address: lizheng@tjutcm.edu.cn. ^[4]

关键词 Artificial intelligence Molecular compatibility theory Molecular drugs combination prediction Synergy prediction of TCM compounds

医学主题词人工智能(Artificial Intelligence);医学, 中国传统(Medicine, Chinese Traditional);中草药(Drugs, Chinese Herbal);人类(Humans);药物协同作用(Drug Synergism)

DOI 10.1016/S1875-5364(25)60967-8

PMID 41260787

发布时间 2025-11-19

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