New set of principal properties for heteroaromatics obtained by GRID

被引：33

作者：

Clementi, S ^{[1
]}

Cruciani, G ^{[1
]}

Fifi, P ^{[1
]}

Riganelli, D ^{[1
]}

Valigi, R ^{[1
]}

Musumarra, G ^{[1
]}

机构：

[1] UNIV CATANIA,DIPARTIMENTO SCI CHIM,I-95125 CATANIA,ITALY

来源：

QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS | 1996年 / 15卷 / 02期

关键词：

PCA; PLS; GRID; PPs; heteroaromatics; statistical design;

D O I：

10.1002/qsar.19960150205

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

A set of 40 heteroaromatic systems was multivariately characterized by 13 descriptors derived by GRID. From this data matrix a second generation of Principal Properties for heteroaromatics was derived. Such Principal Properties are suitable for designing series of molecules of biological interest containing heteroaromatic moieties.

引用

页码：108 / 120

页数：13

共 25 条

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