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Article(5)
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Chemometrics and Intelligent Laboratory Systems(2)
Bioorganic and Medicinal Chemistry(1)
Journal of Biomedical Science(1)
Journal of Molecular Graphics and Modelling(1)
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Química analítica(4)
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scopus(5)
QSAR 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 pbkp_rediction of inhibition of aldose reductase for flavonoids
ArticleAbstract: We performed a pbkp_redictive analysis based on quantitative structure-activity relationships (QSAR)Palabras claves:Aldose reductase inhibition, Cataract prevention, Dragon molecular descriptors, Enhanced replacement method, Flavone derivative, Genetic Algorithm, QSAR, Replacement methodAutores:Autino J.C., Bennardi D.O., Castro E.A., Fernandez F.M., Mercader A.G., Pablo R. Duchowicz, Romanelli G.P.Fuentes:scopusQSAR study of the DPPH radical scavenging activity of di(hetero)arylamines derivatives of benzo[b]thiophenes, halophenols and caffeic acid analogues
ArticleAbstract: We performed a pbkp_redictive analysis based on Quantitative Structure-Activity Relationships (QSAR)Palabras claves:Benzo[b]thiophenes, Caffeic acid analogues, Di(hetero)arylamines, Halophenols, QSAR, Radical scavenging activityAutores:Castro E.A., Lee A., Mercader A.G., Pablo R. Duchowicz, Pomilio A.B.Fuentes:scopusPbkp_redictive modeling of the total deactivation rate constant of singlet oxygen by heterocyclic compounds
ArticleAbstract: We constructed a pbkp_redictive model of the total deactivation rate constant (kt) of singlet oxygenPalabras claves:Enhanced replacement method, Genetic Algorithm, heterocycles, QSPR, singlet oxygenAutores:Cabrerizo F.M., Castro E.A., Fernandez F.M., Mercader A.G., Pablo R. Duchowicz, Thomas A.H.Fuentes:scopusPbkp_rediction of aqueous toxicity for heterogeneous phenol derivatives by QSAR
ArticleAbstract: We provide QSAR models for the growth inhibition of the ciliated protozoan Tetrahymena pyriformis byPalabras claves:Flexible descriptors, IGC 50, Phenol derivatives, QSAR studies, Replacement method, Tetrahymena pyriformisAutores:Castro E.A., Fernandez F.M., Mercader A.G., Pablo R. DuchowiczFuentes:scopus