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Comput Chem. 2000 Jul;24(5):571-6.

Maximum topological distances based indices as molecular descriptors for QSPR: 2--application to aromatic hydrocarbons

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  • 1CEQUINOR, Departamento de Quimica, Facultad de Ciencias Exactas, Universidad Nacional de La Plata, Argentina. castro@dalton.quimica.unlp.edu.ar

Abstract

Several standard topological indices based upon two different distance matrix definitions are employed to analyse their use to predict normal boiling points of a representative set of aromatic hydrocarbons. Results are quite satisfactory and they reveal the suitability of resorting to the maximum distance concept to compute the molecular indices, being in complete agreement with our previous findings on this issue.

PMID:
10890366
[PubMed - as supplied by publisher]
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