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scopus(7)
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 Study of Biologically Active Essential Oils against Beetles Infesting the Walnut in Catamarca, Argentina
ArticleAbstract: Essential oils from six species of aromatic plants collected in the Catamarca Province of ArgentinaPalabras claves:Carpophilus spp. (Coleoptera: Nitidulidae), chemoinformatics, essential oils, generalized estimating equations, Oryzaephilus spp. (Coleoptera: Silvanidae), Principal Component Analysis, repellent and insecticide activity, WalnutsAutores:Carrizo A., Comelli N.C., Diez P.A., Marinho C.F., Ortiz E.V., Pablo R. Duchowicz, Romero O.E., Schliserman P.Fuentes:scopusQSAR models for insecticidal properties of plant essential oils on the housefly (Musca domestica L.)
ArticleAbstract: The fumigant and topical activities exhibited by 27 plant-derived essentials oils (EOs) on adult M.Palabras claves:essential oils, Insecticidal activity, Molecular descriptors, Musca domesticaL, Quantitative structure-activity relationshipsAutores:Bennardi D.O., Comelli N.C., Ortiz E.V., Pablo R. DuchowiczFuentes: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: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