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使用ZINC获取虚拟筛选库。

Using ZINC to acquire a virtual screening library.

作者信息

Irwin John J

机构信息

University of California San Francisco, San Francisco, California.

出版信息

Curr Protoc Bioinformatics. 2008 Jun;Chapter 14:14.6.1-14.6.23. doi: 10.1002/0471250953.bi1406s22.

Abstract

The ZINC database of commercially available compounds contains biologically relevant representations of purchasable compounds in ready-to-screen formats. ZINC uses catalogs from over 50 compound vendors, changing from time to time to reflect newly available compounds and depleted stock. ZINC is available in subsets that reflect current opinion in the field such as "fragment-like" and "lead-like," and has a facility to create additional small ad hoc subsets. ZINC has a search facility, as well as a service to process molecules that are not in ZINC by uploading them to a server.

摘要

ZINC商业可用化合物数据库包含可购买化合物的生物学相关表示形式,且为易于筛选的格式。ZINC使用来自50多家化合物供应商的目录,并会不时更新以反映新可得的化合物和库存耗尽情况。ZINC有一些子集,反映了该领域当前的观点,如“类片段”和“类先导”,并且具备创建额外小型临时子集的功能。ZINC有一个搜索工具,还有一项服务,可通过将不在ZINC中的分子上传到服务器来处理这些分子。

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