STRUCTURE ACTIVITY RELATIONSHIP IN A SERIES OF QUINOLONES

被引：5

作者：

CALAS, M ^{[1
]}

BOMPART, J ^{[1
]}

GIRAL, L ^{[1
]}

GRASSY, G ^{[1
]}

机构：

[1] UNIV TOULOUSE 3,UFR SCI PHARMACEUT,DEPT CHIM PHARMACEUT,RECH MODELISAT MOLEC GRP,F-31062 TOULOUSE,FRANCE

来源：

EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY | 1991年 / 26卷 / 03期

关键词：

QUINOLONES; QSAR; AUTOCORRELATION DESCRIPTORS; PRINCIPAL COMPONENT ANALYSIS; DISCRIMINANT ANALYSIS;

D O I：

10.1016/0223-5234(91)90060-Z

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

A structure-activity relationship study was carried out in a series of antibacterial quinolones and naphtyridines. The autocorrelation vectors are used as structural descriptors. Variables obtained are treated by both principal components analysis and discriminant analysis. From 122 compounds, active and inactive molecules were correctly predicted by a discriminant function of two variables.

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页码：279 / 290

页数：12

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