中药色谱指纹图谱辅助分析系统的设计与应用

目的研究计算机辅助分析、评价中药指纹图谱的方法及应用。方法以Microsoft Visual Stu-dio.Net 2003作为开发平台,利用面向对象技术和相关统计算法。结果设计并开发了基于Win-dows界面的中药指纹图谱辅助分析系统;中药指纹图谱辅助分析系统作为对实际系统应用的测试与检验,对精制大蒜油指纹图谱进行了辅助分析计算,达到了预期数据处理要求;系统测试表明,该系统在CPU主频为1 G、内存为256 M的计算机上能够同时处理100张实验时间为60 min的色谱指纹图谱。结论经过不断的改进和完善,该系统已经囊括了国内多数优秀中药指纹图谱软件技术和算法,不但能够完成对照指纹图谱的生成、相似度计算等基本功能,而且还能够进行谱图编辑与优化、自由谱峰匹配、图表排版、简单数据挖掘等功能;该系统具有实用性与稳定性。

Design and application of chromatographic fingerprint of traditional Chinese medicine aided analytical system

Objective To study the computer-aided analysis and evaluate the approaches as well as application of fingerprint of traditional Chinese medicine. Methods Taking Microsoft Visual Studio. Net 2003 as development platform, object-oriented technique and relative statistic and algorithm were used for the design and applcation of the aided analytical system of fingerprint of traditional Chinese medicine. Results As the test and check of actual system applications, aided-analysis and calculation about the fingerprint of refinement of garlic oil achieves the anticipated demand of data processing. System testing shows that in the computer with CPU main frequency being 1 G, EMS memory being 256 M, this system can simultaneously deal with 100 pieces of chromatographic fingerprint, of which experiment time is 60 min. Conclusions With consistently improvement, this system has included a large amount of excellent software technique on fingerprint of traditional Chinese medicine and algorithm, which can not only accomplish such basic functions as creation of the contrasted fingerprint, molecular similarity, etc, but can carry out spectrogram compiling and optimizing, freedom chart peak matching, charts typesetting, simple data mining , etc as well. It is proved the practicability and stability of this system