期刊
QUIMICA NOVA
卷 24, 期 5, 页码 658-671出版社
SOC BRASILEIRA QUIMICA
DOI: 10.1590/S0100-40422001000500013
关键词
quantitative structure-activity relationships; multiple linear regression; validation of QSAR models
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.
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