中药药效成分是实现其功效的物质基础，受遗传、环境、人为加工等因素的影响，是随时随域随法变化的。中药超分子化学理论可为揭示多种中药成分中“变与不变”的规律提供依据。首先进行成分簇整合，根据中药成分在色谱柱上的印迹行为划分出“物质单元”，并建立中药成分簇网络动力学与热力学的研究方法，再采用线性和非线性拟合得回归方程，得到各物质单元的作用（活度）系数、作用贡献度、活度、化学势，最后按排序确定各物质单元的贡献大小。该法弱化了对具体成分的分析，强化了对整合成分簇的研究，为阐明中药药效物质基础及其多成分簇的作用机制提供新的研究方法和思路。

The effective components of traditional Chinese medicine are material basis for realizing its efficacy. Influenced by factors such as heredity, environment and artificial processing, they change with domain and method at any time. The theory of supramolecular chemistry of traditional Chinese medicine can provide a basis for solving the law of “change and invariance” in various traditional Chinese medicine components. Firstly, the component clusters were integrated, and the “material units” were divided according to imprinting behavior of Chinese medicine components on chromatographic column, and the research methods of network dynamics and thermodynamics of Chinese medicine component clusters were established. Then, the regression equation was obtained by linear and nonlinear fitting, and the action (activity) coefficient, action contribution, activity and chemical potential of each material unit were obtained. This method weakens the analysis of specific components, strengthens study of integrated component clusters, and provides new research methods and ideas for elucidating material basis of traditional Chinese medicine efficacy and the mechanism of multi-component clusters.

国家自然科学基金资助项目（82274215）；湖南省自然科学基金资助项目（2021JJ80058）；湖南省重点研发计划（2022SK2014）；湖南省中医药科研项目（2021078）