Variable Selection by Orthogonal Descriptors and Prediction of Rf Value of Phenol and Aniline Derivatives
- VernacularTitle: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
- Author:
Wenjun ZHANG
;
Lu XU
;
Yuhua QI
- Publication Type:Journal Article
- From:
Chinese Journal of Analytical Chemistry
2001;29(2):178-181
- CountryChina
- Language:Chinese
-
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.
