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Maximum topological distances based indices as molecular descriptors for QSPR: 2--application to aromatic
1CEQUINOR, Departamento de Quimica, Facultad de Ciencias Exactas, Universidad Nacional de La Plata, Argentina. castro@dalton.quimica.unlp.edu.ar
Computers & Chemistry
|July 13, 2000
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.