Quantitative structure-activity relationship studies on antituberculotic N-1-cyclopropylquinolones using Szeged Index (Sz)

A novel application of Szeged index (Sz) for modeling antituberculotic acti vities of N-1-cyclopropylquinolones is described. The correlation potential of St has been compared with correlation ability of the molecular orbital energies: energy of highest occupied molecular orbital (E-H), energy of low est unoccupied molecular orbital (E-L) and total pi-electron energy (E-T). Mono-parametric regression analysis has indicated that St and E, are the ap propriate parameters for quantitative structure-activity relationship (QSAR ). The results are highly improved by the introduction of an indicator para meter using multiple correlation analysis.