基于信息融合的中药多元色谱指纹图谱相似性计算方法  

A Computational Method Based on Information Fusion for Evaluating the Similarity of Multiple Chromatographic Fingerprints of TCM

作　　者：范骁辉[1] 叶正良[1] 程翼宇[1] 

机构地区：[1]浙江大学药学院中药科学与工程学系药物信息学研究所,杭州310027

出　　处：《高等学校化学学报》2006年第1期26-29,共4页Chemical Journal of Chinese Universities

基　　金：国家自然科学基金重大研究计划重点项目(批准号:90209005);国家"十五"重大科技攻关计划项目(批准号:2001BA701A01)资助

摘　　要：用信息融合算法合并多张色谱指纹图谱,解决中药多元指纹图谱相似性评价难题,提出一种多元色谱指纹图谱相似度计算方法.用该方法先对各单元指纹图谱进行串行或并行象素级信息融合,再对融合了各指纹峰信息的多元色谱指纹图谱进行相似度评价.计算机仿真和复方丹参滴丸多元HPLC指纹图谱应用结果表明,该法能够评价中药多元色谱指纹图谱相似度,定量表征中成药产品批次间质量波动情况.An computational method based on information fusion is developed to evaluate the similarity of multiple chromatographic fingerprints of TCM, where it solves a current key problem on evaluating the similarity of multiple fingerprints. In this method, the information of individual fingerprint was combined by using serial or parallel information fusion strategy at raw data level, and then the integral similarity of multiple fingerprints was calculated by comparing their fusion results. Subsequently, this method was applied to simulated datasets and a set of Compound Danshen Dripped PiIIs（CDDP） samples. The results indicate that, by this method, the similarity among multiple chromatographic fingerprints of TCM can be calculated, and the lot-to-lot consistency of samples can be evaluated quantitatively.

关 键 词：多元化学指纹图谱 信息融合 中药质量控制 

分 类 号：O657.7[理学—分析化学] R284[理学—化学]