摘要
在邻接矩阵的基础上 ,提出了一个新的拓扑指数 n F,并用 1F研究了取代苯类化合物的分配系数、生物毒性及气相色谱保留指数等 ,得到了相关的方程 .结果表明 ,该方法计算简单 ,使用方便 。
Based on the adjacent matrix, the author introduces a novel topological index nF .And by making use of 1F among nF ,some research work was done on the n octanol/water partition coefficient K ow , biological toxicity and retention index of gas chromatography about substituted benzenes. The related equations were developed. It has been demonstrated that the method possesses the advantage of easy computation. Results predicted by the model are in agreement with those got from the experiment.
出处
《科技通报》
北大核心
2002年第4期327-330,共4页
Bulletin of Science and Technology
