论文部分内容阅读
利用分子力学ＭＭＰＭ 和量子化学ＣＮＤＯ／２ 方法对一系列氟喹诺酮类化合物分子进行计算，并由所计算的微观参数结合宏观疏水参数与活性指标进行多元逐步回归处理，建立了相关性很好的Ｈａｎｓｃｈ 回归方程。根据回归方程，对影响抑菌活性的主要因素作了讨论
A series of fluoroquinolones were calculated by using molecule mechanics MMPM and quantum chemical CNDO / 2 method, and the multivariate step-by-step regression of the calculated microscopic parameters combined with macroscopic hydrophobic parameters and activity indexes was carried out to establish a good correlation Hansch Regression equation. According to the regression equation, the main factors affecting the antibacterial activity are discussed