Abstract
The matrix of maximal topological distances of a graph can serve as a basis for constructing new topological indices of ringcontaining structures. A comparative study of the structureproperty correlations of the indices of the matrix of maximal topological distances and known Wiener, Horary, and Schultz indices (instructive sample of 29 alkylbenzenes) showed that the best two- and three-parameter correlations with boiling points include the indices of the maximal distance matrix. The two-parameter (r = 0.0992, s = 3.5) and three-parameter (r = 0.994, s = 3.1) correlations may be used for quantitative predictions of the boiling points of alkylbenzenes.
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Translated fromZhumal Struktumoi Khimii, Vol. 38, No. 1, pp. 167–172, January–February, 1997.
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Toropov, A.A., Toropova, A.P., Ismailov, T.T. et al. Correlations of indices calculated from the matrix of maximal topological distances with boiling points of alkylbenzenes. J Struct Chem 38, 135–139 (1997). https://doi.org/10.1007/BF02768819
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DOI: https://doi.org/10.1007/BF02768819