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人工智能虚拟细胞技术赋能中医药现代化研究OA

Artificial Intelligence Virtual Cell for the Modernization of Traditional Chinese Medicine

中文摘要英文摘要

人工智能虚拟细胞(Artificial Intelligence Virtual Cell,AIVC)是一种融合多组学数据与深度学习技术的多尺度建模方法,能够在分子、细胞及组织水平模拟细胞动态行为,并预测基因扰动、药物干预等刺激下的细胞响应.中医药现代化进程面临复方作用机制不清、活性成分筛选效率偏低、传统实验维度单一等瓶颈,亟须探索新的研究方法.本文通过梳理AIVC的技术内涵与发展脉络,探讨了AIVC在中医药研究中的应用路径,并在此基础上,提出了基于AIVC的中药机制解析与药物发现框架,涵盖数据整合、模型构建、靶标筛选、机制推演与实验验证等五个环节,以期为中药复方多靶点协同机制的解析与活性成分筛选提供新范式.此外,本文还分析了当前AIVC面临的主要挑战,并对未来发展方向进行了展望:"AIVC有望推动中医药研究从经验驱动向数据驱动的范式转型,为中医药现代化提供核心技术支撑."

Artificial Intelligence Virtual Cell(AIVC)is a multi-scale modeling approach that integrates multi-omics data with deep learning techniques,capable of simulating dynamic cellular behaviors at molecular,cellular,and tissue levels,and predicting cellular responses under stimuli such as genetic perturbations or drug interventions.The modernization of Traditional Chinese Medicine(TCM)still faces several major challenges,including unclear mechanisms underlying multi-component herbal formulations,low efficiency in active compound screening,and the limited dimensionality of conventional experimental approaches.These challenges highlight the ur-gent need for innovative research methodologies.By reviewing the technical principles and developmental trajectory of AIVC,this study explores its potential application pathways in TCM research.On this basis,an AIVC-based framework for mechanism elucidation and drug discovery in TCM.This framework encompasses five core stages,namely data integration,model construction,target screening,mechanism inference,and experimental validation.This framework aims to provide a new paradigm for elucidating the multi-target syn-ergistic mechanisms of herbal formulations and for identifying their active components.In addition,the major challenges currently faced in this field are discussed,and future development directions are outlined.AIVC is expected to promote the transformation of TCM re-search from an experience-driven paradigm to a data-driven paradigm,thereby providing essential technological support for the moderni-zation of TCM.

徐国庆;李嘉琪;陈伟

成都中医药大学智能医学学院,四川成都 611137成都中医药大学智能医学学院,四川成都 611137成都中医药大学智能医学学院,四川成都 611137||成都中医药大学中医药创新研究院,四川成都 611137

医药卫生

人工智能虚拟细胞中药复方多组学数据融合作用机制解析药物发现

Artificial intelligence virtual cellTraditional Chinese medicine formulasMulti-omics data fusionMechanism of actionDrug discovery

《成都中医药大学学报》 2026 (4)

1-11,11

四川省重大科技专项(2024ZDZX0019)

10.13593/j.cnki.51-1501/r.2026.04.001

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