Proposição, validação e análise dos modelos que correlacionam estrutura química e atividade biológica

By Anderson Coser Gaudio, E. Zandonade. 2001

50 citations recorded by the source corpus.

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.

Subfields: Computational Theory and Mathematics, Materials Chemistry, Organic Chemistry

View Paper: https://www.semanticscholar.org/paper/84af2735196ed9e71286f811957850a2a0e4eea5