摘要
介绍了三维分子结构检索系统的结构索引与匹配，应用位筛成功地实现了三维结构数据的索引，可以快速得到候选结构，然后使用原子－原子匹配算法获得精确的命中结构。
The indexing and matching method empolyed in our 3 Dimensional Structure Searching System are introduced in this paper.The indexing of 3D structures was implemented by using bit screens,which can obtain the candidate structures rapidly.The precise structures can be selected among the candidates by atom atom matching.
出处
《计算机与应用化学》
CAS
CSCD
1999年第2期97-100,共4页
Computers and Applied Chemistry
基金
国家"八五"攻关项目
国家自然科学基金
中法先进研究计划
