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scopus(18)
Anticonvulsant activity of ringed enaminones: A QSAR study
ArticleAbstract: The formalism of the QSAR Theory is employed to establish mathematical relationships that link the mPalabras claves:ab initio calculations, ED 50, Enaminones, Epilepsy, Linear free energy relationships, Molecular descriptors, QSAR TheoryAutores:Castro E.A., Estrada M.R., Martinez J.C.G., Pablo R. Duchowicz, Zamarbide G.N.Fuentes:scopusA comparative QSAR on 1,2,5-thiadiazolidin-3-one 1,1-dioxide compounds as selective inhibitors of human serine proteinases
ArticleAbstract: Selective inhibitors of target serine proteinases have a potential therapeutic role for the treatmenPalabras claves:1,2,5-Thiadiazolidin-3-one 1,1-dioxide, Flexible descriptors, molecular dynamics, QSAR Theory, serine proteasesAutores:Caram J.A., Castro E.A., Fernandez F.M., García J., Mirífico M.V., Pablo R. Duchowicz, Rozas M.F.Fuentes:scopusConformation-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 analysis for heterocyclic antifungals
ArticleAbstract: We perform linear regression analyses on 1202 numerical descriptors that encode the various aspectsPalabras claves:Antifungal potency, Molecular descriptors, QSAR Theory, Replacement methodAutores:Caballero J., Castro E.A., Fernández M., Pablo R. Duchowicz, Vitale M.G.Fuentes:scopusQSAR analysis on Spodoptera litura antifeedant activities for flavone derivatives
ArticleAbstract: We establish useful models that relate experimentally measured biological activities of compounds toPalabras claves:Antifeedant activity, Flavone derivatives, pED 50, QSAR Theory, Replacement methodAutores:Autino J.C., Bennardi D.O., Castro E.A., Goodarzi M., Ocsachoque M.A., Ortiz E.V., Pablo R. Duchowicz, Romanelli G.P., Ruiz D.M.Fuentes:scopusQSAR analysis on tacrine-related acetylcholinesterase inhibitors
ArticleAbstract: Background: The evaluation of the clinical effects of Tacrine has shown efficacy in delaying the detPalabras claves:Acetylcholinesterase Inhibitor, Alzheimer's disease, QSAR Theory, Tacrine, ValidationAutores:Honarparvar B., Mercader A.G., Pablo R. Duchowicz, Romanelli G.P., Saavedra L.M., Wong K.Y.Fuentes:scopusQSAR applications during last decade on inhibitors of acetylcholinesterase in Alzheimer's disease
ArticleAbstract: This article reviews multi-criteria QSAR applications on Acetylcholinesterase inhibitors as palliatiPalabras claves:Acetylcholinesterase, Alzheimer's disease, CoMFA, CoMSIA, Medicinal chemistry, Molecular descriptors, QSAR TheoryAutores:Castro E.A., Mercader A.G., Pablo R. Duchowicz, Wong K.Y.Fuentes:scopusQSAR applications on polycyclic aromatic hydrocarbons and some derivatives
ArticleAbstract: Polycyclic Aromatic Hydrocarbons (PAHs) have been the focus of great attention for a long time owingPalabras claves:Cross validation, Molecular descriptors, Multivariable Linear Regression, Polycyclic aromatic hydrocarbons, QSAR TheoryAutores:Andrada M.F., Castro E.A., Pablo R. DuchowiczFuentes:scopusQSAR on antiproliferative naphthoquinones based on a conformation- independent approach
ArticleAbstract: The antiproliferative activities of a series of 36 naphthoquinone derivatives were subjected to a QuPalabras claves:Cáncer, Molecular descriptors, Multivariable Linear Regression, Naphthoquinone derivative, QSAR TheoryAutores:Bacelo D.E., Bennardi D.O., Bonifazi E.L., Burton G., Misico R.I., Pablo R. Duchowicz, Padrón J.M., Rios-Luci C.Fuentes: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:scopus