新拓扑指数提出的几个方向  

The directions for putting forward new topological index

作　　者：侯俊[1] 邓德茹[1] 

机构地区：[1]北京防化研究院,北京102205

出　　处：《计算机与应用化学》2008年第3期303-305,共3页Computers and Applied Chemistry

摘　　要：拓扑指数是一种把分子结构数值化的参数,不受经验和实验条件的限制,因而近年来受到普遍的关注并且发展迅速。本文简要介绍了几种有典型代表意义的拓扑指数,包括他们的计算方法、应用领域等,并讨论了各自的优缺点,最后总结了新拓扑指数提出的方向与发展趋势。In recent years,topological index,a parameter that making molecule structure numeralized without the limitation of experience and experiments,has been rapidly developed and attracted increasing attention.In this paper,several representative topological indices were briefly introduced,including their calculation method,application fields,and etc.The merits and drawbacks of these topological indexes were also discussed.Finally,the developing direction and trend for putting forward new topological index were briefly summarized.

关 键 词：新拓扑指数 构效关系 三维指数 

分 类 号：O641[理学—物理化学]