一种适合用于处理中药指纹图谱数据的偏最小二乘法  

A kind of PLS method suitable to deal with the fingerprinting data of Chinese medicine

作　　者：朱尔一[1] 

机构地区：[1]厦门大学化学化工学院现代分析科学教育部重点实验室,福建厦门361005

出　　处：《计算机与应用化学》2005年第8期639-642,共4页Computers and Applied Chemistry

基　　金：福建省自然科学基金(C0210006)资助项目

摘　　要：中药指纹图谱数据具有变量数很大而样本数较小的特点,本文中采用拉格朗日求极值的方法导出一种新的适合用于处理这类数据的偏最小二乘算法。结果表明:所得到新的算法,在处理中药指纹图谱数据时,与传统的偏最小二乘算法比较,节省存储单元,计算量小,计算速度快,因而计算效率高。The fingerprinting data sets of Chinese medicine are the data sets with large number of variables and few objects. A new kind of PLS algorithm that is suitable to deal with this kind of data sets has been derived by use of the Lagrange method of solving extremum problem in this paper. The results indicate that by comparing with the traditional PLS algorithm the new presented algorithm is memory-saving, with small amount of calculation, fast and effective when dealing with the fingerprinting data of Chinese medicine or the data with large number of variables and few objects.

关 键 词：偏最小二乘法 指纹图谱 回归分析 

分 类 号：O6-04[理学—化学]