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Encoding alternatives for the pbkp_rediction of polyacrylates glass transition temperature by quantitative structure-property relationships
ArticleAbstract: The glass transition temperature, Tg, is one of the most important properties of amorphous polymers.Palabras claves:Computational techniques, computer modeling and simulation, Glass transitions, polymersAutores:Mercader A.G., Pablo R. DuchowiczFuentes:scopusEnhanced replacement method integration with genetic algorithms populations in QSAR and QSPR theories
ArticleAbstract: The selection of an optimal set of molecular descriptors from a much larger collection of such regrePalabras claves:Enhanced replacement method, Genetic Algorithm, QSAR, QSPRAutores:Mercader A.G., 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:scopusQSPR study of solvent quenching of the <sup>5</sup>D<inf>0</inf> →<sup> 7</sup>F<inf>2</inf> emission of Eu(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionate)<inf>3</inf>
ArticleAbstract: We performed a pbkp_redictive analysis, based on quantitative structure-property relationships (QSPRPalabras claves:Autores:Castro E.A., Fernandez F.M., Mercader A.G., Pablo R. Duchowicz, Wolcan E.Fuentes:scopus