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scopus(6)
Application of quantitative structure-property relationship analysis to estimate the vapor pressure of pesticides
ArticleAbstract: The application of molecular descriptors in describing Quantitative Structure Property RelationshipsPalabras claves:Multivariable Linear Regression (MLR), PESTICIDES, Quantitative Structure-Property Relationships (QSPR), Vapor pressure (VP)Autores:dos Santos Coelho L., Goodarzi M., Honarparvar B., Ortiz E.V., Pablo R. DuchowiczFuentes:scopusNew hybrid genetic based support vector regression as QSAR approach for analyzing flavonoids-GABA(A) complexes
ArticleAbstract: Several studies were conducted in past years which used the evolutionary process of Genetic AlgorithPalabras claves:Autores:Castro E.A., Fernandez F.M., Goodarzi M., Pablo R. Duchowicz, Wu C.H.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:scopusPbkp_redictive QSPR study of the dissociation constants of diverse pharmaceutical compounds
ArticleAbstract: The objective of the article was to perform a pbkp_redictive analysis, based on quantitative structuPalabras claves:Enhanced replacement method, Pharmaceutical compounds, pK a, QSPRAutores:Castro E.A., Fernandez F.M., Goodarzi M., Mercader A.G., Pablo R. DuchowiczFuentes:scopusPbkp_rediction of drug intestinal absorption by new linear and non-linear QSPR
ArticleAbstract: In order to minimize the high attrition rate that usually characterizes drug research and developmenPalabras claves:ADME properties, Drug intestinal absorption, Model's applicability domain, Molecular descriptors, QSPR Theory, Replacement methodAutores:Bellera C.L., Bruno-Blanch L.E., Castro E.A., Goodarzi M., Ortiz E.V., Pablo R. Duchowicz, Pesce G., Talevi A.Fuentes:scopuspK<inf>a</inf> modeling and pbkp_rediction of a series of pH indicators through genetic algorithm-least square support vector regression
ArticleAbstract: The pKa values of a series of 107 indicators have been modeled by means of a quantitative structure-Palabras claves:GA-LSSVR, PH indicators, pK a, quantitative structure-property relationships, SUPPORT VECTOR MACHINESAutores:Freitas M.P., Goodarzi M., Pablo R. Duchowicz, Wu C.H.Fuentes:scopus