Quantitative structure-activity relationship studies on antituberculotic N₁- cyclopropylquinolones using Szeged Index (Sz)

Abstract

1203-1208A novel application of Szeged index (Sz) for modeling antituberculotic activities  of N1- cyclopropylquinolones is described. The correlation  potential of Sz has been compared with correlation ability of the molecular orbital energies: energy of highest occupied molecular orbital (<i style="mso-bidi-font-style: normal">EH), energy of lowest unoccupied molecular orbital (EL) and total π-electron energy (ET). Mono-parametric regression analysis has indicated that Sz and ET are the appropriate parameters for quantitative structure-activity relationship (QSAR). The results are highly improved by the introduction of an indicator parameter using multiple correlation analysis. </span