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Chemometrics and Intelligent Laboratory Systems(1)
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scopus(4)
Conformation-independent QSAR on c-Src tyrosine kinase inhibitors
ArticleAbstract: The main idea of this work was to find pbkp_redictive quantitative structure-activity relationshipsPalabras claves:C-Src tyrosine kinase, Multivariable linear regression analysis, Pyrrolo-pyrimidine derivatives, QSAR Theory, Structural descriptorsAutores:Castro E.A., Comelli N.C., Kolacz M., Ortiz E.V., Pablo R. Duchowicz, Toropov A.A., Toropova A.P.Fuentes:scopusQSAR models for the fumigant activity pbkp_rediction of essential oils
ArticleAbstract: The Quantitative Structure-Activity Relationships (QSAR) theory, which allows pbkp_redicting the insPalabras claves:essential oils, Fumigant activity, Molecular descriptors, Quantitative structure-activity relationshipsAutores:Bennardi D.O., Comelli N.C., Ortiz E.V., Pablo R. DuchowiczFuentes:scopusQSAR models for thiophene and imidazopyridine derivatives inhibitors of the Polo-Like Kinase 1
ArticleAbstract: The inhibitory activity of 103 thiophene and 33 imidazopyridine derivatives against Polo-Like KinasePalabras claves:chemoinformatics, molecular modeling, Multivariate linear regression analysis, Polo-Like Kinase 1 (PLK1) inhibitors, Thiophene and imidazopyridines derivativesAutores:Castro E.A., Comelli N.C., Pablo R. DuchowiczFuentes:scopusQSPR study of valproic acid and its functionalized derivatives
ArticleAbstract: This work establishes a Quantitative Structure-Property Relationships (QSPR) based analysis with thePalabras claves:Atoms in molecules theory, Molecular descriptors, Pauling's Resonance Theory, QSPR Theory, Valproic AcidAutores:Castro E.A., Comelli N.C., Jubert A.H., Lobayan R.M., Pablo R. DuchowiczFuentes:scopus