从体外到体内:人工智能驱动的中药质量标志物发现与质量控制研究进展OA
From in vitro to in vivo:Research Progress on Quality Marker Discovery and Quality Control of Traditional Chinese Medicine Driven by Artificial Intelligence
中药质量控制体系的建立对于阐明其药效物质基础、保证用药安全及提升复方制剂质量水平具有重要意义.传统的中药质量控制方法多依赖于"辨状论质"的外观鉴别以及对外源性成分的定性与定量分析,难以全面反映中药在体内的真实作用过程.仅凭体外化学成分的表征,不足以真实、准确地评价中药的整体质量与疗效.近年来,随着大语言模型等人工智能技术的快速发展,其知识整合与语义表征的优势为中药成分体内过程的精准预测提供了关键技术支撑.该文系统综述了人工智能在中药体内成分预测与中药质量标志物(Q-marker)筛选中的应用,涵盖规则模型、机器学习、深度学习及多组学数据整合策略,并对人工智能驱动下的中药质量控制研究进行展望,以期为推动该领域向智能化、精准化方向发展提供参考.
The establishment of a quality control system for traditional Chinese medicine is of great importance for clarifying its pharmacodynamic material basis,ensuring medication safety,and im-proving the quality level of compound preparations.Conventional quality control approaches for tradi-tional Chinese medicine mainly rely on appearance identification based on morphological features and qualitative or quantitative analysis of exogenous chemical components.These methods have limita-tions in reflecting the real action process of traditional Chinese medicine in vivo.Evaluation based on-ly on in vitro chemical composition is insufficient to accurately and comprehensively assess the overall quality and therapeutic effects of traditional Chinese medicine.In recent years,with the rapid devel-opment of artificial intelligence technologies such as language models,their advantages in knowledge integration and semantic representation have provided important technical support for the precise pre-diction of in vivo processes of traditional Chinese medicine components.This review systematically summarizes the applications of artificial intelligence in the prediction of in vivo components of tradi-tional Chinese medicine and the screening of quality marker(Q-marker).The covered methods in-clude rule based models,machine learning,deep learning,and multi omics data integration strate-gies.In addition,future research on artificial intelligence driven quality control of traditional Chi-nese medicine is discussed,aiming to provide references for promoting the development of this field toward intelligent and precise directions.
刘雪;李遇伯;刘雪珂;王玉明;杨珍
天津中医药大学 中药学院,天津 301600天津中医药大学 中药学院,天津 301600天津中医药大学 中药学院,天津 301600天津中医药大学 中药学院,天津 301600天津中医药大学 中药学院,天津 301600
化学化工
中药质量控制人工智能体内成分预测中药质量标志物
quality control of traditional Chinese medicineartificial intelligencepredicting in vi-vo constituentsQ-marker
《分析测试学报》 2026 (6)
1188-1195,8
国家中医药管理局青年岐黄项目资助
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