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About orthogonal descriptors in QSPR/QSAR theories
ArticleAbstract: By means of linear algebra we develop several useful mathematical expressions for multivariate lineaPalabras claves:Autores:Castro E.A., Fernandez F.M., Pablo R. DuchowiczFuentes:scopusAlternative statistical and theoretical analysis of fluorophilicity
ArticleAbstract: We present quantitative structure-property relationships (QSPR) for the partition of 99 organic compPalabras claves:Fluorine, Fluorous partition coefficient, Statistical models, Structure-activity relations, topological indicesAutores:Castro E.A., Fernandez F.M., Pablo R. DuchowiczFuentes:scopusQSPR modeling of enthalpies of formation from elements of coordination compounds by correlation weighting of nearest neighboring codes
ArticleAbstract: We have obtained the enthalpies of formation from elements of a representative set of 158 coordinatiPalabras claves:coordination compounds, Enthalpy of formation from elements, Nearest neighboring codes, optimization of correlation weights of local graph invariants, QSPRAutores:Castro E.A., Fernandez F.M., Nazarov A.U., Nesterova A.I., Pablo R. Duchowicz, Toropov A.A.Fuentes:scopusThe orthogonal descriptors in the QSAR-QSPR theory
ReviewAbstract: This review analyzes different aspects related to the orthogonalization of the molecular descriptorsPalabras claves:Multivariate Regression, Orthogonal Descriptors, Orthogonalization Methods, QSAR/QSPR TheoryAutores:Castro E.A., Fernandez F.M., Pablo R. DuchowiczFuentes:scopus