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scopus(15)
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:scopusApplication of descriptors based on Lipinski's rules in the QSPR study of aqueous solubilities
ArticleAbstract: We complement new physically interpretable descriptors inspired by the Lipinski's rules of drug bioaPalabras claves:Aqueous solubility, Molecular descriptors, QSPR Theory, Replacement methodAutores:Bellera C.L., Bruno-Blanch L.E., Castro E.A., Pablo R. Duchowicz, Talevi A.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 for non-nucleoside inhibitors of HIV-1 reverse transcriptase
ArticleAbstract: By means of QSAR algorithms we model the potency pIC90 [mM] of 154 non-nucleoside reverse transcriptPalabras claves:Anti-HIV potency, Molecular descriptors, QSPR-QSAR, Reverse transcriptase inhibitorAutores:Caballero J., Castro E.A., Fernandez F.M., Fernández M., 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 treatment on a new class of triphenylmethyl-containing compounds as potent anticancer agents
ArticleAbstract: We establish pbkp_redictive Quantitative Structure-Activity Relationships for exploring the relationPalabras claves:Anticancer drug, apoptosis, Melanoma cells, Molecular descriptors, QSAR TheoryAutores:Castro E.A., Mullen L.M.A., Pablo R. DuchowiczFuentes:scopusQSPR analysis of fluorophilicity for organic compounds
ArticleAbstract: We constructed a QSPR model from 116 organic compounds for the pbkp_rediction of fluorophilicity. ThPalabras claves:Fluorophilicity, Molecular descriptors, QSPR Theory, Replacement methodAutores:Castro E.A., Fernandez F.M., Mercader A.G., Pablo R. Duchowicz, Sanservino M.A.Fuentes:scopus