摘要
在已知链烃构成基团种类与个数的基础上，提出基于基团组合的链烃分子构造方法与结构子图的同构图区分方法。该法具有计算速度快、工作量小、易于在微机上实现等优点。
On the basis of knowing number and type of structural groups of paraffins, a molecular construction method by group combination and an approach to distinguish isomorphic graphs, which is called structural sub graph method, are proposed. These methods have advantages on computational speed and resource, and easy to operate on microcomuters.
出处
《计算机与应用化学》
CAS
CSCD
1998年第6期345-351,共7页
Computers and Applied Chemistry
基金
国家自然科学基金
