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QSPR 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: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:scopus