7位取代氟诺喹酮衍生物的定量构效关系（QSAR）研究

he PM3 and B3LYP methods were employed to calculate a number of molecular properties of 7-substituted fluoroquinolones. The correlation between biological activity (against gram-positive organisms or gram-negative organisms) and structural properties was obtained by using the multiple linear regression (MLR) methods. The best model generated correlates the antibacterial activity with EHOMO and QF8 for gram-positive organisms, and EHOMO and dipole moment for gram-negative organisms, respectively.