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scopus(12)
Conformation-independent QSAR on c-Src tyrosine kinase inhibitors
ArticleAbstract: The main idea of this work was to find predictive quantitative structure-activity relationships (QSAPalabras 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:scopusApplication of quantitative structure-property relationship analysis to estimate the vapor pressure of pesticides
ArticleAbstract: The application of molecular descriptors in describing Quantitative Structure Property RelationshipsPalabras claves:Multivariable Linear Regression (MLR), PESTICIDES, Quantitative Structure-Property Relationships (QSPR), Vapor pressure (VP)Autores:dos Santos Coelho L., Goodarzi M., Honarparvar B., Ortiz E.V., Pablo R. DuchowiczFuentes:scopusExploring 3-arylquinoxaline-2-carbonitrile 1,4-di-N-oxides activities against neglected diseases with QSAR
ArticleAbstract: This work reveals our efforts to continue identifying new active compounds against neglected diseasePalabras claves:Antimycobacterial, Antiplasmodial, MALARIA, Multivariable Linear Regression, Neglected diseases, Quantitative structure-activity relationships, Quinoxaline oxides, TuberculosisAutores:Castro E.A., Monge A., Ortiz E.V., Pablo R. Duchowicz, Vicente E.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 on aryl-piperazine derivatives with activity on malaria
ArticleAbstract: In this work we offer linear regression models on a set of aryl-piperazine derivatives that are obtaPalabras claves:Artemisinin, Aryl-piperazines, Molecular descriptors, QSAR Theory, Replacement methodAutores:Castro E.A., Ibezim E.C., Ortiz E.V., 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:scopusQSAR study for the fish toxicity of benzene derivatives
ArticleAbstract: We searched Quantitative Structure-Toxicity models for predicting the fish toxicity against PoeciliaPalabras claves:Benzene derivatives, Pc, Poecilia reticulata, QSAR Theory, Replacement methodAutores:Castro E.A., Marrugo H J., Ortiz E.V., Pablo R. Duchowicz, Vivas-Reyes R.Fuentes:scopusQuantitative structure-activity relationships of mosquito larvicidal chalcone derivatives
ArticleAbstract: The mosquito larvicidal activities of a series of chalcones and some derivatives were subjected to aPalabras claves:chalcone derivatives, Molecular descriptors, mosquito larvicidal activity, QSAR TheoryAutores:Autino J.C., García J., Ortiz E.V., Pablo R. Duchowicz, Pasquale G., Romanelli G.P.Fuentes:scopusLinear and non-linear relationships mapping the Henry's law parameters of organic pesticides
ArticleAbstract: This work aims to predict the air to water partitioning for 96 organic pesticides by means of the QuPalabras claves:artificial neural networks, Dragon molecular descriptors, Henry's law constant, QSPR-QSAR Theory, Replacement methodAutores:dos Santos Coelho L., Goodarzi M., Ortiz E.V., Pablo R. DuchowiczFuentes:scopus