Exploratory chemometric analysis of the classification of pharmaceutical substances based on chromatographic data

被引：57

作者：

Detroyer, A ^{[1
]}

Schoonjans, V ^{[1
]}

Questier, F ^{[1
]}

Vander Heyden, Y ^{[1
]}

Borosy, AP ^{[1
]}

Guo, Q ^{[1
]}

Massart, DL ^{[1
]}

机构：

[1] Free Univ Brussels, Inst Pharmaceut, Dept Phamaceut & Biomed Anal, ChemoAC, B-1090 Brussels, Belgium

来源：

JOURNAL OF CHROMATOGRAPHY A | 2000年 / 897卷 / 1-2期

关键词：

quantitative structure-activity relationship; principal component analysis; clustering; sequential projection pursuit; chemometrics;

D O I：

10.1016/S0021-9673(00)00803-7

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

A chemometric study has been conducted on a published data set consisting of the retention times of 83 substances, from five pharmacological families, on eight HPLC systems. Principal component analysis, clustering and sequential projection pursuit were applied. In this way it was investigated to what extent the combination of chromatography and chemometrics allows one to make conclusions about pharmacological activities of (candidate) drugs and what the contribution is of the different HPLC systems considered. (C) 2000 Elsevier Science BN. All rights reserved.

引用

页码：23 / 36

页数：14

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