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Artificial intelligence in natural products research

摘要Artificial intelligence(AI)has emerged as a transformative technology in accelerating drug discovery and development within natural medicines research.Natural medicines,character-ized by their complex chemical compositions and multifaceted pharmacological mechanisms,demonstrate widespread application in treating diverse diseases.However,research and de-velopment face significant challenges,including component complexity,extraction difficulties,and efficacy validation.AI technology,particularly through deep learning(DL)and machine learning(ML)approaches,enables efficient analysis of extensive datasets,facilitating drug screening,component analysis,and pharmacological mechanism elucidation.The implement-ation of AI technology demonstrates considerable potential in virtual screening,compound optimization,and synthetic pathway design,thereby enhancing natural medicines' bioavail-ability and safety profiles.Nevertheless,current applications encounter limitations regarding data quality,model interpretability,and ethical considerations.As AI technologies continue to evolve,natural medicines research and development will achieve greater efficiency and preci-sion,advancing both personalized medicine and contemporary drug development ap-proaches.

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作者 Xiao Yuan [1] Xiaobo Yang [2] Qiyuan Pan [1] Cheng Luo [3] Xin Luan [1] Hao Zhang [1] 学术成果认领
作者单位 Shanghai Frontiers Science Center of TCM Chemical Biology,Institute of Interdisciplinary Integrative Medicine Research,Shanghai University of Traditional Chinese Medicine,Shanghai 201203,China [1] Zhongshan Institute for Drug Discovery,Shanghai Institute of Materia Medica,Chinese Academy of Sciences,Zhongshan 528437,China [2] Zhongshan Institute for Drug Discovery,Shanghai Institute of Materia Medica,Chinese Academy of Sciences,Zhongshan 528437,China;State Key Laboratory of Drug Research,Shanghai Institute of Materia Medica,Chinese Academy of Sciences,Shanghai 201203,China;State Key Laboratory of Functions and Applications of Medicinal Plants,Guizhou Medical University,Guiyang 550014,China [3]
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DOI 10.1016/S1875-5364(25)60902-2
发布时间 2025-12-05(万方平台首次上网日期,不代表论文的发表时间)
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中国天然药物

中国天然药物

2025年23卷11期

1342-1357页

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