Artificial intelligence in natural products research
文献类型：期刊论文
| 作者 | Yuan, Xiao2; Yang, Xiaobo3; Pan, Qiyuan2; Luo, Cheng1,3,4; Luan, Xin2; Zhang, Hao2 |
| 刊名 | CHINESE JOURNAL OF NATURAL MEDICINES
 |
| 出版日期 | 2025-11-01 |
| 卷号 | 23期号:11页码:1342-1357 |
| 关键词 | Natural products Artificial intelligence Deep learning Drug discovery Model interpretability |
| ISSN号 | 2095-6975 |
| DOI | 10.1016/S1875-5364(25)60902-2 |
| 英文摘要 | Artificial intelligence (AI) has emerged as a transformative technology in accelerating drug discovery and development within natural medicines research. Natural medicines, characterized by their complex chemical compositions and multifaceted pharmacological mechanisms, demonstrate widespread application in treating diverse diseases. However, research and development 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 implementation of AI technology demonstrates considerable potential in virtual screening, compound optimization, and synthetic pathway design, thereby enhancing natural medicines' bioavailability 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 precision, advancing both personalized medicine and contemporary drug development approaches. |
| WOS关键词 | DE-NOVO GENERATION ; DRUG DISCOVERY ; KYOTO ENCYCLOPEDIA ; PREDICTION ; MOLECULES ; GENOMICS ; ANALOGS ; TARGETS ; PRIVACY ; GENES |
| 资助项目 | National Key Research and Development Program of China[2020YFE0202200] ; Na-tional Natural Science Foundation of China[81903538] ; Na-tional Natural Science Foundation of China[82322073] ; Na-tional Natural Science Foundation of China[92253303] ; Innovation Team and Talents Cultiva-tion Program of National Administration of Traditional Chinese Medicine[ZYYCXTD-D-202004] ; Science and Technology Commission of Shanghai Municipality[22ZR1474200] ; Science and Technology Commission of Shanghai Municipality[24JS2830200] |
| WOS研究方向 | Integrative & Complementary Medicine ; Pharmacology & Pharmacy |
| 语种 | 英语 |
| WOS记录号 | WOS:001622050800001 |
| 出版者 | CHINESE JOURNAL NATURAL MEDICINES |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/322010]  |
| 专题 | 国家级研究中心_原创新药研究全国重点实验室 |
| 通讯作者 | Luan, Xin; Zhang, Hao |
| 作者单位 | 1.Guizhou Med Univ, State Key Lab Funct & Applicat Med Plants, Guiyang 550014, Peoples R China 2.Shanghai Univ Tradit Chinese Med, Inst Interdisciplinary Integrat Med Res, Shanghai Frontiers Sci Ctr TCM Chem Biol, Shanghai 201203, Peoples R China 3.Chinese Acad Sci, Zhongshan Inst Drug Discovery, Shanghai Inst Mat Med, Zhongshan 528437, Peoples R China 4.Chinese Acad Sci, Shanghai Inst Mat Med, State Key Lab Drug Res, Shanghai 201203, Peoples R China |
| 推荐引用方式 GB/T 7714 | Yuan, Xiao,Yang, Xiaobo,Pan, Qiyuan,et al. Artificial intelligence in natural products research[J]. CHINESE JOURNAL OF NATURAL MEDICINES,2025,23(11):1342-1357. |
| APA | Yuan, Xiao,Yang, Xiaobo,Pan, Qiyuan,Luo, Cheng,Luan, Xin,&Zhang, Hao.(2025).Artificial intelligence in natural products research.CHINESE JOURNAL OF NATURAL MEDICINES,23(11),1342-1357. |
| MLA | Yuan, Xiao,et al."Artificial intelligence in natural products research".CHINESE JOURNAL OF NATURAL MEDICINES 23.11(2025):1342-1357. |
入库方式： OAI收割
来源：上海药物研究所
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