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灰色系统理论在中药色谱指纹图谱模式识别中的应用研究

[Research on the application of grey system theory in the pattern recognition for chromatographic fingerprints of traditional Chinese medicine].

作者信息

Wei Hang, Lin Li, Zhang Yuan, Wang Lianjing, Chen Qinqun

机构信息

School of Medical Information Engineering, Guangzhou University of Chinese Medicine, Guangzhou 510006, China.

出版信息

Se Pu. 2013 Feb;31(2):127-32. doi: 10.3724/sp.j.1123.2012.09017.

Abstract

A model based on grey system theory was proposed for pattern recognition in chromatographic fingerprints (CF) of traditional Chinese medicine (TCM). The grey relational grade among the data series of each testing CF and the ideal CF was obtained by entropy and norm respectively, then the principle of "maximal matching degree" was introduced to make judgments, so as to achieve the purpose of variety identification and quality evaluation. A satisfactory result in the high performance liquid chromatographic (HPLC) analysis of 56 batches of different varieties of Exocarpium Citrus Grandis was achieved with this model. The errors in the chromatographic fingerprint analysis caused by traditional similarity method or grey correlation method were overcome, as the samples of Citrus grandis 'Tomentosa' and Citrus grandis (L.) Osbeck were correctly distinguished in the experiment. Furthermore in the study on the variety identification of Citrus grandis 'Tomentosa', the recognition rates were up to 92.85%, although the types and the contents of the chemical compositions of the samples were very close. At the same time, the model had the merits of low computation complexity and easy operation by computer programming. The research indicated that the grey system theory has good applicability to pattern recognition in the chromatographic fingerprints of TCM.

摘要

提出了一种基于灰色系统理论的中药色谱指纹图谱模式识别模型。分别通过熵法和范数法得到各待测色谱指纹图谱与理想指纹图谱数据序列间的灰色关联度,引入“最大匹配度”原则进行判断,以实现品种鉴别和质量评价的目的。该模型在56批次不同品种的化橘红高效液相色谱分析中取得了满意结果。克服了传统相似度法或灰色关联法在色谱指纹图谱分析中产生的误差,在实验中正确区分了化橘红和柚的样品。此外,在化橘红品种鉴别研究中,尽管样品化学成分的种类和含量非常接近,识别率仍高达92.85%。同时,该模型具有计算复杂度低、易于计算机编程操作的优点。研究表明,灰色系统理论在中药色谱指纹图谱模式识别中具有良好的适用性。

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