摘要
设计了在数据库中化学结构的存储方式,并在系统分析化学结构在计算机中的不同描述法的基础上,提出了一种基于Web的化学结构搜索法。该方法由Robot抓取Web文档中的化学结构信息,利用Oracle建立化学结构数据库,通过建立化学结构的索引,实现对化学结构的全结构、子结构、结构相似性检索。
A storage of chemical structure in the database is designed. Based on the systematical analysis of the different approaches for chemical structure representation in computer, a solution to building a search engine for chemical structure is introduced. It snatches chemical structure information by a robot and builds chemical structure database using Oracle. Through constructing the indices for the chemical structures, searching for full structure, substruture and similar structure can be implemented.
出处
《计算机与应用化学》
CAS
CSCD
北大核心
2007年第8期1123-1126,共4页
Computers and Applied Chemistry
基金
863计划软件专项(2004AA1Z2160)
