高等学校化学学报 ›› 2006, Vol. 27 ›› Issue (1): 26-29.

• 研究论文 • 上一篇    下一篇

基于信息融合的中药多元色谱指纹图谱相似性计算方法

范骁辉, 叶正良, 程翼宇   

  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
  • 收稿日期:2005-04-29 出版日期:2006-01-10 发布日期:2006-01-10
  • 通讯作者: 程翼宇(1958年出生), 男, 博士, 教授, 博士生导师, 从事药物分析和药物信息学研究. E-mail: chengyy@zju.edu.cn
  • 基金资助:

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

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

FAN Xiao-Hui, YE Zheng-Liang,  CHENG Yi-Yu   

  1. Pharmaceutical Informatics Institute,  Department of Chinese Medicine Science and Engineering, 
    College of Pharmaceutical Sciences,  Zhejiang University,  Hangzhou 310027, China
  • Received:2005-04-29 Online:2006-01-10 Published:2006-01-10
  • Contact: CHENG Yi-Yu,E-mail: chengyy@zju.edu.cn

摘要:

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.

关键词: 关键词多元化学指纹图谱; 信息融合; 中药质量控制

Abstract:

AbstractAn 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 Pills(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.

Key words: Multiple chromatographic fingerprinting; Information fusion; Quality control of TCM

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