一个建立分子结构的子分子结构库的算法

An Algorithm of Building the Sub Molecular Structure Library of a Molecular Structure

给出了一个建立分子结构的子分子结构库的算法:将分子结构视为一种特殊的结点可同名的连通无向图,然后求出该图的所有连通子图。

To seek all the connected subgraphs of a special connected undirected graph of which the vertices may have the same names,this paper gives an algorithm of building the sub molecular structure library of a molecular structure.