The paper gives a brief account of the recently introduced Szeged index (Sz). Using this index antitubercular activities of N-2,4-difluorophenyl quinolones are subjected to quantitative structure-activity relationship analysis. The potential of Sz related to the Wiener index (W) is critically discussed. In addition, Huckel molecular orbital energies: E HOMO , E LUMO and E total were also used for comparing and modelling antitubercular activities of the quinolones. The results, based on univariate as well as multivariate regressions, have shown that W, Sz and E total give better results and that the correlations improve in multivariate regression analyses.
QSAR studies on a set of 36 congeners of 4-aminodiphenylsulfone derivatives with measured inhibition potencies of dihydropterate synthase were made using multiple regression analysis. Conformational entropy in combination with indicator parameters gave excellent results.
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