A comparative QSAR study using Wiener, Szeged, and molecular connectivity indices

In this study we have investigated the relative correlation potential of Wi ener (W), Szeged (Sz), and molecular connectivity indices ((0)chi(R), (1)ch i(R) and (2)chi(R)) in developing quantitative structure-activity relations hips, QSAR; log P values of benzoic acid and its nuclear-substituted deriva tives were used for this purpose. The statistical analyses for univariate a nd multivariate correlations had indicated that both W and Sz are closely r elated to the connectivity indices ((m)chi(R)) and that the W, the Sz, and the (1)chi(R) indices have similar modeling potentials. (1)chi(R) gives sli ghtly better results than both W and Sz. Other connectivity indices (0)chi( R) and (2)chi(R) correlate poorly with log P.