摘要
本文描述了一种在提问图结构信息指导下的二维结构搜索算法，并在提问图中引入表示结构片段的超原子，以适应更广泛的结构搜索问题。算法程序在一个小型结构库中进行了检测。
An algorithm for 2D structure searching is developed in this paper. Thequery structure will be ordered (labeled) and the structure base will be searched followingthe direction of the ordering result of the query structure. The superatom representing the structure fragment is defined in the query structure for more complicated structure searching problems. The algorithm is tested in a small structure base.Keywrods: Structure searching, Structure homomorphism.Structure isomorphism, Superatom
出处
《计算机与应用化学》
CAS
CSCD
1997年第1期23-26,共4页
Computers and Applied Chemistry
基金
国家自然科学基金
