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Alternative algorithm for the search of an optimal set of descriptors in QSAR-QSPR studies
ArticleAbstract: We propose an algorithm for the search of an optimal set of descriptors from a pool of such regressiPalabras claves:Autores:Castro E.A., Fernandez F.M., Pablo R. DuchowiczFuentes:scopusQSPR modeling of the enthalpy of formation based on Partial Order Ranking
ArticleAbstract: A new pbkp_redictive method based on Partial Order Ranking is introduced in the realm of the QSPR-QSPalabras claves:Enthalpy of formation from elements, Flexible descriptor, Least Squares method, Partial order ranking, QSPR-QSAR TheoryAutores:Castro E.A., Fernandez F.M., Pablo R. DuchowiczFuentes:scopusPbkp_rediction of the Hildebrand parameter of various solvents using linear and nonlinear approaches
ArticleAbstract: The Hildebrand solubility parameter (δ) provides a numerical estimate of the degree of interaction bPalabras claves:artificial neural networks, Fullerene, Hildebrand parameter, QSPRAutores:Fernandez F.M., Freitas M.P., Goodarzi M., Pablo R. DuchowiczFuentes:scopus