摘要
在目标分子构成基团已确定的基础上,提出通过邻接表逐级建边构造目标分子的方法.算例表明对于十个基团以下的分子构造,本方法是非常成功的.
On the basis of screened constitutional groups of target molecules, a method of constituting target molecules by which sides of topological planar construction of the molecules is set up by means of f adjacent table is proposed. Computing examples indicate that the method is very successful for molecular construction where constitutional groups are less than 10.
出处
《计算机与应用化学》
CAS
CSCD
1997年第3期167-173,共7页
Computers and Applied Chemistry
基金
国家自然科学基金!29306039