局部最小二乘法校正中药指纹图谱信号的组分保留时间漂移  

Correction of Retention Time Shift of Chinese Traditional Medicine Fingerprint by Local Least Squares Fitting

作　　者：杨云[1] 朱学峰[1] 

机构地区：[1]华南理工大学自动化科学与工程学院,广州510640

出　　处：《华东理工大学学报（自然科学版）》2006年第7期818-820,共3页Journal of East China University of Science and Technology

基　　金：广东省广州市科技攻关项目(2004Z3-E5011)

摘　　要：提出和实现了采用局部最小二乘法对中药指纹图谱中的组分保留时间漂移进行校正的方法。首先介绍了标准最小二乘法的算法原理,针对标准最小二乘法直线拟合在处理指纹图谱数据时的局限性,根据中药指纹图谱信号数据的特点,提出对组分复杂的中药指纹图谱信号采用局部最小二乘法实现对组分保留时间漂移的校正。对3组田基黄中药样本的指纹图谱信号采用局部最小二乘法进行处理,从校正前后相似度结果的对比可知,校正后的相似度均有不同程度的提高,证明文中所提方法的可行性和优越性。To realize correction of retention time shift of Chinese medicine fingerprint,a preliminary study on the ordinary least fitting algorithm is carried out, which is not robust enough to effectively handle the problem of retention time shift of Chinese medicine fingerprint because of the complicated multi-compo- nent signals. By studying the ordinary least squares fitting according to the inherent features of Chinese medicine fingerprint signal, one practical line fitting method, i.e. local least squares fitting was putfor- ward. A brief description of this method is made to solve the retention time shift of Chinese medicine fin- gerprint under different experimental conditions. Three real-life samples are corrected and the compared results illustrate the improvement of the similarity degree of the Chinese traditional medicine fingerprint.

关 键 词：中药指纹图谱 组分保留时间漂移 局部最小二乘法 

分 类 号：TP391[自动化与计算机技术—计算机应用技术]