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QSAR 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:scopusQSAR study for carcinogenicity in a large set of organic compounds
ArticleAbstract: In our continuing efforts to find out acceptable Absorption, Distribution, Metabolization, EliminatiPalabras claves:ADMET, Carcinogenicity, Molecular descriptors, Multivariable linear regression analysis, QSAR TheoryAutores:Castro E.A., Comelli N.C., Ortiz E.V., 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