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QSPR Study of Valproic Acid and Its Functionalized Derivatives

Nieves C Comelli1, Pablo R Duchowicz2, Rosana M Lobayan3

  • 1INIFTA, Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas (CCT La Plata-CONICET), Diag. 113 y 64, C.C. 16, Sucursal 4, 1900 La Plata, Argentina tel.: (+54)(221)425-7430/(+54)(221)425-7291; fax: (+54) 221 425 4642. ncomelli75@gmail.com.

Molecular Informatics
|August 2, 2016
PubMed
Summary

This study develops Quantitative Structure-Property Relationships (QSPR) models to understand valproic acid derivatives. These models link structural and electronic properties to intramolecular interactions, aiding in drug design.

Keywords:
Atoms in Molecules TheoryMolecular DescriptorsPauling’s Resonance TheoryQSPR TheoryValproic Acid

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