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Proposição, validação e análise dos modelos que correlacionam estrutura química e atividade biológica Proposition, validation and analysis of QSAR models

By Anderson Coser Gaudio and Eliana Zandonade

Abstract

<abstract language="eng">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

Topics: quantitative structure-activity relationships, multiple linear regression, validation of QSAR models, Chemistry, QD1-999, Science, Q, DOAJ:Chemistry (General), DOAJ:Chemistry
Publisher: Sociedade Brasileira de Química
Year: 2001
DOI identifier: 10.1590/S0100-40422001000500013
OAI identifier: oai:doaj.org/article:058735ead2fe48619e58e71f6a94a8b1
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