Proposition, validation and analysis of QSAR models

被引：59

作者：

Gaudio, AC

Zandonade, E

机构：

[1] Univ Fed Espirito Santo, Dept Fis, Ctr Ciencias Exatas, ES-29060900 Vitoria, Spain

[2] Univ Fed Espirito Santo, Dept Estatist, Ctr Ciencias Exatas, ES-29060900 Vitoria, Spain

来源：

QUIMICA NOVA | 2001年 / 24卷 / 05期

关键词：

quantitative structure-activity relationships; multiple linear regression; validation of QSAR models;

D O I：

10.1590/S0100-40422001000500013

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The present paper aims to bring under discussion some theoretical and practical aspects about the proposition, validation and analysis of QSAR models based on multiple linear regression. A comprehensive approach for the derivation of extrathermodynamic equations is reviewed. Some examples of QSAR models published in the literature are analyzed and criticized.

引用

页码：658 / 671

页数：14

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