摘要
对一个涵盖中国西部地区天然药物生态特性到分子结构方面多种信息的天然药物数据库的建立和其查询系统的开发进行了描述。特别介绍了数据库中引入的量子化学计算 ,以及该数据库所具有的数据更新方便、查询功能强大等特点 。
In this paper, the construction of the database that includes multi information of West China tradition medicine in the west from ecology to molecule structure and the achievement of search engine was introduced. The most obvious characteristic of the database is that the quantum chemistry calculation was introduced into the database which was for the first time in this kind of database .The data in database were easily refreshed and search engine was powerful. In addition, the application of the database for Quantitative Structure Activity and Relationship was discussed .
出处
《药学进展》
CAS
2001年第5期294-297,共4页
Progress in Pharmaceutical Sciences
基金
国家自然科学基金资助项目 (6 98710 2 0)
关键词
天然药物
量子化学计算
植物药
动物药
天然药物数据库
Multi information
Traditional medicine
Database
Searching
Quantum chemistry calculation
