Abstract

CORNWELL, E.. Modified connectivity index and their application to alkyl alcohol QSPR models. Rev. Soc. Quím. Perú [online]. 2008, vol.74, n.3, pp.172-181. ISSN 1810-634X.

A modification of topological index (¹χ^h corn) was proposed. This modification consist in the numerical evaluation of all elements a_ij of the matrix used in ¹χ^h index definition, applying a product operator (1/D2) to all original matrix a_ij elements. This factors a_ij are function of the distances between the graph vertexes (i, j) (molecular atoms distances). The models obtained using this modified index (¹χ^h corn) present a more good statistically indices respect when using the original one. Nevertheless the means errors produced on the differences of experimental and calculated dependent variables are not significantly different between both models.

Keywords : Alcohols; modified connectivity index; mathematical model.

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