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scopus(9)
Conformation-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:scopusApplication of the replacement method as a novel variable selection strategy in QSAR. 1. Carcinogenic potential
ArticleAbstract: The carcinogenic potency (TD50) of a set of 62 nitrosocompounds is pbkp_redicted, applying the QSARPalabras claves:Carcinogenic potency, LOO and LGO cross-validation, Nitrosocompounds, Orthogonalization, Replacement method, Variable selectionAutores:Castro E.A., Morales-Helguera A., Natalia Dias Soeiro Cordeiro M., Pablo R. Duchowicz, Perez González M., Pérez M.A.C.Fuentes:scopusApplication of the replacement method as novel variable selection in QSPR. 2. Soil sorption coefficients
ArticleAbstract: We pbkp_redict the soil sorption coefficients of 163 non-ionic organic pesticides performing a QSPRPalabras claves:Genetic Algorithms, K OC, Organic pesticide, QSPR Theory, Replacement methodAutores:Castro E.A., Morales-Helguera A., Natalia Dias Soeiro Cordeiro M., Pablo R. Duchowicz, Perez González M.Fuentes:scopusModified and enhanced replacement method for the selection of molecular descriptors in QSAR and QSPR theories
ArticleAbstract: We improve a recently developed Replacement Method (RM) for the selection of an optimal set of molecPalabras claves:Full Search, Multivariable Linear Regression, QSPR-QSAR Studies, Replacement method, Simulated Annealing MethodologyAutores:Castro E.A., Fernandez F.M., Mercader A.G., 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 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: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:scopusQuantitative structure-property relationship analyses of aminograms in food: Hard cheeses
ArticleAbstract: The concentrations of the amino acids of Reggianito Argentino and Goya full-ripened industrial ArgenPalabras claves:Aminograms, Multi-variable Linear Regression, Quantitative structure-property relationship theory, Reggianito Argentino and Goya cheeses, Replacement methodAutores:Castro E.A., Giraudo M.A., Pablo R. Duchowicz, Pomilio A.B.Fuentes:scopusQuantitative structure-spectral property relationships for functional groups of novel 1,2,5-thiadiazole compounds
ArticleAbstract: We show that the Quantitative Structure-Property Relationships (QSPR) Theory is a valuable tool forPalabras claves:1,2,5-thiadiazole derivatives, Molecular structure, QSPR, Replacement method, spectroscopyAutores:Caram J.A., Castro E.A., Fernandez F.M., Mirífico M.V., Pablo R. Duchowicz, Rozas M.F.Fuentes:scopus