摘要
本文提出了(1)一种数值化的分子色图距离矩阵,由此加工出了结构匹配的线索;(2)提出了可用距离矩阵匹配化合物的猜测,并对这个猜测作了考查。将上述两种概念结合起来,得到了一种简单快速准确的有机化合物匹配方法。该算法的复杂度为 o(mn^3)。
A numerical distance matrix of compound chromatic graphs has been created for ob-taining the clues of structural matching,and a guess that compound structures can bematched by distance matrices has been proposed.A fast algorithm has been set up based onthe two ideas.The complexity of this algorithm is o(mn^2) .
出处
《计算机与应用化学》
CAS
CSCD
1989年第4期295-300,共6页
Computers and Applied Chemistry
关键词
有机化合物
结构匹配
距离矩阵
Structure matching
Distance matrix
Organic compound chromatic graph
