摘要
采用分子连接性指数法对文献报道的氟喹诺酮类Ｃ—５位及Ｃ—７位有不同取代基的４１个化合物的抑菌活性进行定量构效关系研究，首先编制了计算路径、簇项、路径／簇项和链项各阶分子连接性指标，并建立了这类化合物抑菌活性的定量构效关系（ＱＳＡＲ）方程，结果表明５位以简单取代基为宜．用建立的ＱＳＡＲ模型预测了Ｋｌｏｐｍａｎ组合设计的分子活性，结果表明对抑制革氏阳性菌活性不理想．
The chain term was clearly defined and the program which can calculate path, cluster, path /cluster and chain terms was written. The QSAR of 1-cyclopropy1-5, 7-disubstituted-6, 8-difluoro-1, 4-dihydro-4-oxo-3-quinolinecarbyonic acid was studied by molecular connectivity. The molecular activity designed by Klopman was predicted using QSAR models.
出处
《科技通报》
1996年第6期338-342,共5页
Bulletin of Science and Technology
