中国中药杂志

2008, (13) 1543-1549

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明目地黄丸知柏地黄丸无水乙醇提取物指纹图谱双指标等级序列模式识别
Dual index grade sequence pattern recognition of extracts with ethanol of Mingmu Dihuang pills and Zhibai Dihuang pills

邹华彬;张新玲;翟红;杜爱琴;
ZOU Hua-bin~1 ZHANG Xin-ling~1 ZHAI Hong~2 DU Ai-qin~1 (1.School of Chemistry and Chemical Engineering of Shandong University,Jinan 250100,China;2.Shandong Province Hospital,Shandong 250021,China)

摘要(Abstract):

目的:建立一种新的模式识别方法:双指标等级序列模式识别法,该法兼有无监督聚类的客观性及有监督学习的明确分类特点。方法:根据正态分布,该法数学定义了一种质量等级标准,可在不同质量等级标准下进行模式识别,实现质量定量评价分级。根据优良等级相似样品序列,无须学习标准样品就可以同时对样品无监督聚类及分类,其中的相似样品自身作为分类标志,该法有效消除模式识别中的冗余信息,可以对一类中的样品进行更加精细的亚类模式识别能力。结果:对27种明目地黄丸及知柏地黄丸等浓缩丸样品无水乙醇提取物的红外指纹图谱进行了分析,明目地黄丸样品及知柏地黄丸样品分别形成各自的精细亚类,得到合理的模式识别结果。结论:双指标等级序列模式识别法具有准确质量定量评价分级能力。
Objective:A new pattern recognition method suitable for traditional Chinese patent medicine was established in this paper,which is named as the Dual index grade sequence pattern recognition.Method:In this method the quality gradation was defined mathematically relying on normal distribution.By this way samples can be clustered and classified depending on which quality gradation is wanted,and the grading samples quantitatively relative to quality can be performed simultaneously.Especially,the redun- dant information with respect to pattern recognition hiding in dual index sequences of samples can be removed effectively by applying the good grade sequences,which make the pattern recognition results accurate excellently.This approach possesses the advantages of both supervised classification and unsupervised cluster methods.Samples can be clustered and classified at the same time without any standard samples,and the operation is accomplished based on the good grade similar sequences themselves being as the classifying marks.Moreover,the subclasses in each class can be identified more subtly.Result:The infrared fingerprint spectra of extracts of 27 kinds of Mingmu Dihuangwan pills and Zhibo Dihuangwan pills samples extracted with ethanol were analyzed with the method proposed in this paper.The results showed that these pills can be classified in their subclasses clearly,respectively.Conclusion:The Dual in- dex grade sequence pattern recognition is a new and effective one for identifying complex biological products made from complex herbal medicines.

关键词(KeyWords): 指纹图谱;序列;模式识别;聚类分析;明目地黄丸;知柏地黄丸;质量分级
fingerprint spectra;sequence;pattern recognition;cluster analysis;Mingmu Dihuangwan pills;Zhibo Dihuangwan pills;quality gradation

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作者(Author): 邹华彬;张新玲;翟红;杜爱琴;
ZOU Hua-bin~1 ZHANG Xin-ling~1 ZHAI Hong~2 DU Ai-qin~1 (1.School of Chemistry and Chemical Engineering of Shandong University,Jinan 250100,China;2.Shandong Province Hospital,Shandong 250021,China)

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