中药炮制是中医用药的一大特色和优势，是保证中药饮片质量和临床疗效的重要环节。对中药材进行有效炮制，可降低药物毒副作用，增强药物疗效，保证用药安全。但中药成分复杂，其在炮制过程中会发生复杂的化学变化，这正是导致中药炮制前后性味功能改变的重要原因。如何揭示这些复杂化学成分变化，阐明中药药效物质基础，是中药炮制研究的重点和难点。化学计量学作为一门以数学和计算机技术为基础的新兴交叉学科，可将多变量的分析方法引入化学研究，而化学模式识别作为化学计量学的重要组成部分，已成为中药物质基础研究的重要手段，并在炮制研究中广泛应用。针对化学模式识别在筛选炮制工艺、检测中药炮制前后药效物质成分变化，涉及药性改变、减毒增效、引药归经等方面的应用进行论述，并初步探讨化学模式识别应用于中药炮制研究中所存在的问题及发展前景。

The processing of Chinese materia medica (CMM) is one of the characteristics and advantages of traditional Chinese medicine (TCM) clinical medicine, and it is an important link to ensure the quality of slices and clinical efficacy. The effective processing of CMM can reduce drug toxicity and side effects, enhance drug efficacy, and ensure drug safety. However, due to the complex composition of CMM, complex chemical changes will occur during the processing process, which is an important reason for the change of flavor function after the processing of CMM. The revelation of the variation of complex chemical composition and clarification of pharmacodynamic material basis of CMM are the key and difficult points in the study of CMM processing. Chemometrics is a newly-developing cross-disciplinary subject based on mathematics and computer technology, combining multivariate analysis with chemical research. Chemical pattern recognition, as a significant part of chemometrics, has become an important means of the material basis research, widely used in processing study. This paper discusses the application of chemical pattern recognition in screening the processing technology, detecting the changes of chemical composition, involving the transform of the medicinal properties, synergism and attenuation, and medicinal tropism. The analysis discusses the research problems and development trend on the chemical pattern recognition applying in the processing mechanism of CMM.

R285

“兴辽英才”计划（XLYC1905019）；沈阳药科大学监管科学院项目（2021jgkx009）