摘要
实现了一种基于属性关系图的二维子结构匹配算法 (VF算法),该算法运行时所需的存储空间较小,适合于处 理大批量数据。算法程序用Java语言实现,在NCI开放数据库中经过了3DFS程序的检验,并在已建立的化学结构数 据库中作为子结构检索的工具得到了应用。
The paper illustrates an algorithm for the substructure matching of Attributed Relational Graphs. The algorithm is implemented in Java and is tested with 3DFS, another substructure searching program. Results achieved by these two programs are given with refer-ence to the NCI open database. The Java program of VF algorithm is applied for substructure searching in chemical structure database.
出处
《计算机与应用化学》
CAS
CSCD
北大核心
2002年第5期575-576,580,共3页
Computers and Applied Chemistry
