摘要
本文介绍了分子连接性指数法的原理及各阶指数的计算方法,以及在QSAR计算中的应用实例,并对特殊连接性指数的用法作了分析.
The paper describes the theory of molecular connectivity and the method of calculating the molecular connectivity indices (MCI). Good relationships were developed between MCI and the toxicity of 10 chlorobenzenes to green algae, and between MCIs with the molar refractivity of 47 organotin compounds.
出处
《环境化学》
CAS
CSCD
北大核心
1994年第3期242-245,共4页
Environmental Chemistry
关键词
定量构效关系
分子连接性指数
生物毒性
QSAR
quantitative structure- activity relationships, molecular connectivity indices,toxicity, molar refractivity.
