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变量选择中的正交变换法及苯酚和苯胺类衍生物色谱比移值的预测

章文军 许禄 齐玉华

分析化学2001,Vol.29Issue(2):178-181,4.
分析化学2001,Vol.29Issue(2):178-181,4.

变量选择中的正交变换法及苯酚和苯胺类衍生物色谱比移值的预测

Variable Selection by Orthogonal Descriptors and Prediction of Rf Value of Phenol and Aniline Derivatives

章文军 1许禄 1齐玉华1

作者信息

  • 1. 中国科学院长春应用化学研究所,
  • 折叠

摘要

Abstract

Orthogonal descriptors is a viable method for variable selection, but this method strongly depend on the orthogonalisation ordering of the descriptors. In this paper, we compared the different methods used for order the descriptors. It showed that better results could be achieved with the use of backward elimination ordering. We predieted Rf value of phenol and aniline derivatives by this method, and compared it with classical algorithms such as forward selection, backward elimination, and stepwise procedure. Some interesting hints were obtained.

关键词

正交变换/变量选择/苯酚和苯胺类衍生物/色谱比移值

分类

化学化工

引用本文复制引用

章文军,许禄,齐玉华..变量选择中的正交变换法及苯酚和苯胺类衍生物色谱比移值的预测[J].分析化学,2001,29(2):178-181,4.

分析化学

OA北大核心CSCDSCI

0253-3820

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