Bioactive Compound Classes From Chembl20 For Molecular Hierarchy

Name: Bioactive Compound Classes From Chembl20 For Molecular Hierarchy
Creator: Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Dahlmannstr. 2, D-53113 Bonn, Germany.
Published: 2015-05-07T00:00:00+08:00

Zenodo2015-05-07 更新2026-04-07 收录

药物发现

化学信息学

数据链接：

https://zenodo.org/record/17413 数据链接链接失效反馈

官方服务：

资源简介：

Compound structure, scaffold, and CSK of 78,150 (all) and 54,042 (only compounds with a scaffold shared by at least one another compound) compounds, respectively, are provided herein. In addition, each compound is annotated with target and potency information.

提供机构：

Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Dahlmannstr. 2, D-53113 Bonn, Germany.

创建时间：

2015-05-07