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Revista de la Sociedad Química del Perú
Print version ISSN 1810-634X
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 (1χh corn) was proposed. This modification consist in the numerical evaluation of all elements aij of the matrix used in 1χh index definition, applying a product operator (1/D2) to all original matrix aij elements. This factors aij are function of the distances between the graph vertexes (i, j) (molecular atoms distances). The models obtained using this modified index (1χh 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.