ZINC

The ZINC Database contains commercially available compounds for structure based virtual screening. It currently has compounds that can simply be purchased. It is provided in ready-to-dock, 3D formats with molecules represented in biologically relevant forms. It is available in subsets for general screening as well as target-, chemotype- and vendor-focused subsets. ZINC is free for everyone to use and download at the website zinc.docking.org.

ZINC 数据库汇集了市面上可获取的化合物，专为基于结构的虚拟筛选而设计。该数据库目前包含了可轻松购得的化合物。数据以准备对接的3D格式提供，分子以生物相关形式呈现。它还提供了针对一般筛选以及以目标、化学类型和供应商为焦点的子集。ZINC 数据库对所有人免费开放，用户可在 zinc.docking.org 网站上自由使用和下载。

搜集汇总

背景与挑战

背景概述

ZINC是一个包含商业化化合物的化学数据库，专门用于结构基础虚拟筛选，提供54.9亿2D和5.9亿3D分子数据。该数据库免费开放但部分数据需要付费访问，主要服务于药物化学研究领域。