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scopus(12)
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 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 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 studies for the pharmacological inhibition of glycogen synthase kinase-3
ReviewAbstract: The enzyme GSK-3 plays a central role in cells during the phosphorylation of various key regulatoryPalabras claves:Artificial Neural Network, CoMFA/CoMSIA, Glycogen synthase kinase-3, Multi-variable Linear Regression, partial least squares, Phosphorylation, QSAR TheoryAutores:Castro E.A., Pablo R. DuchowiczFuentes:scopusQSAR study and molecular design of open-chain enaminones as anticonvulsant agents
ArticleAbstract: Present work employs the QSAR formalism to pbkp_redict the ED 50 anticonvulsant activity of ringed-ePalabras claves:Anticonvulsant activity, Flexible descriptors, Open-chain enaminone, QSAR TheoryAutores:Castro E.A., Estrada M.R., Martinez J.C.G., Pablo R. Duchowicz, Zamarbide G.N.Fuentes: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:scopus