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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 the aqueous solubility of alcohols by optimization of correlation weights of local graph invariants
ArticleAbstract: Optimization of correlation weights of local graph invariants is an approach to model molecular propPalabras claves:optimization of correlation weights of local graph invariants, QSPR, water solubility of alcoholsAutores:Castro E.A., Nabiev O.M., Nesterov I.V., Pablo R. Duchowicz, Toropov A.A.Fuentes:scopusThe Use of the Index of Ideality of Correlation to Build Up Models for Bioconcentration Factor
ArticleAbstract: We establish a QSPR analysis for the bioconcentration factor of 851 heterogeneous structural compounPalabras claves:Bioconcentration Factor, CORAL software, Index of ideality of correlation, Molecular descriptors, Monte Carlo method, QSPR, Replacement methodAutores:Castro E.A., Pablo R. Duchowicz, Saavedra L.M., Toropov A.A., Toropova A.P.Fuentes:scopus