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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:scopusThe Use of the Index of Ideality of Correlation to Build Up Models for Bioconcentration Factor
ArticleAbstract: We establish a QSPR analysis for the bioconcentration factor of 851 heterogeneous structural compounPalabras claves:Bioconcentration Factor, CORAL software, Index of ideality of correlation, Molecular descriptors, Monte Carlo method, QSPR, Replacement methodAutores:Castro E.A., Pablo R. Duchowicz, Saavedra L.M., Toropov A.A., Toropova A.P.Fuentes:scopus