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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:scopusDifferent encoding alternatives for the pbkp_rediction of halogenated polymers 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, halogenated polymers, QSPRAutores:Bacelo D.E., Mercader A.G., Pablo R. DuchowiczFuentes: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:scopusReplacement method and enhanced replacement method versus the genetic algorithm approach for the selection of molecular descriptors in QSPR/QSAR theories
ArticleAbstract: We compare three methods for the selection of optimal subsets of molecular descriptors from a much gPalabras claves:Autores:Castro E.A., Fernandez F.M., Mercader A.G., Pablo R. DuchowiczFuentes:scopus