Maximum topological distances based indices as molecular descriptors for QSPR. Part 1. Application to alkyl benzenes boiling points

Several topological indices based upon maximum matrix distance are employed , in order to analyse their use in predicting boiling points of a represent ative set of alkyl benzene molecules. The results are quite satisfactory an d they improve upon previous ones obtained via the standard topological mat rix distance. Higher order relationships prove to be very good, when compar ed to the usual linear ones, in getting excellent predictions. (C) 2000 Els evier Science B.V. All rights reserved.