摘要
讨论了求解连通无向简图的所有连通子图的算法,并将其应用于化学领域:如何将许多具有某种共同属性的物质的分子结构图形分解成子分子结构,进一步地试图找出存在于大多数具有该属性的物质中的子分子结构,并讨论这样的子分子结构导致物质具有该共同属性的概率。
This paper discusses the algorithm of seeking all the subgraphs of a connected simple undirected graph, and applies it in chemistry field: how to decompose the molecular structures of those substances which have the same property into sub molecular structures, search the sub molecular structures which is contained in most substances having this property, and calculate the probability that the substances containing the sub molecular structures have the common property.
出处
《计算机工程》
CAS
CSCD
北大核心
2003年第13期101-102,共2页
Computer Engineering
关键词
图
连通图
子图
算法
分子结构
Graph
Connected graph
Subgraph
Algorithm
Molecular structure