Drug rings database with web interface. A tool for identifying alternative chemical rings in lead discovery programs
Drug rings database with web interface. A tool for identifying alternative chemical rings in lead discovery programs
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DOI：
10.1021/jm0300429
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发表时间：
2003-07-17
影响因子：
7.3
通讯作者：
Bradshaw, J
中科院分区：
文献类型：
--
作者：
Lewell, XQ;Jones, AC;Bradshaw, J
This paper describes the development of a drug rings database and Web-based search tools. The database contains ring structures from both corporate and commercial databases, along with characteristic descriptors including frequency of occurrence as an indicator of synthetic accessibility and calculated property and geometric parameters. Analysis of the rings in several major databases is described, with illustrations of applications of the database in lead discovery programs where bioisosteres and geometric isosteres are sought.
