摘要
利用分子力学程序 MMPM和量子化学程序 CNDO/2对一系列 C- 8位上以氮原子与母体相连的氟康唑类分子进行计算 ,将计算的分子轨道指数进行多元逐步回归处理 ,建立了多元线性回归方程 ,对影响抑菌活性的主要因素做了讨论。
A series of fluconazole,which substitutes at the C 8 position with carbon nitrogen bond linked side chains ,was calculated by MMPM and CNDO/2.The equation could be obtained by stepwise regression with the calculate indices of molecular orbital.Then the analysis of important factors to antibacterial activity was carried out.
出处
《太原理工大学学报》
CAS
2000年第6期642-644,共3页
Journal of Taiyuan University of Technology
基金
山西省教委资助项目
