化学信息的在线存储与检索。II. 子结构与生物活性检索。

On-line storage and retrieval of chemical information. II. Substructure and biological activity searching.

作者信息

Bond V L, Bowman C M, Davison L C, Roush P F, McGrew R D, Williams D G

出版信息

J Chem Inf Comput Sci. 1979 Nov;19(4):231-4. doi: 10.1021/ci60020a012.

PMID:551973

Abstract

An improved interactive system for searching substructure and biological activity data has been developed. Features of the system include a two-level substructure search (fragment screen and atom by atom) and an expanded biological activity data base. The system operates on a file of about 150 000 compounds.

摘要

已经开发出一种用于搜索子结构和生物活性数据的改进型交互式系统。该系统的特点包括两级子结构搜索（片段筛选和逐个原子搜索）以及一个扩展的生物活性数据库。该系统基于一个约15万个化合物的文件运行。