Chembl20 Data Sets For Multi-Property Landscape Analysis

Name: Chembl20 Data Sets For Multi-Property Landscape Analysis
Creator: Institute of Computer Science II, Computer Graphics, Friedrich-Ebert-Allee 144, Rheinische Friedrich-Wilhelms-Universität, D-53113 Bonn, Germany.; Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universitat, Dahlmannstr. 2, D-53113 Bonn, Germany.
Published: 2015-07-29T00:00:00+08:00

Zenodo2015-07-29 更新2026-04-07 收录

药物化学信息

化合物属性

数据链接：

https://zenodo.org/record/21782 数据链接链接失效反馈

官方服务：

资源简介：

Six data sets from ChEMBL (version 20) are provided with their ChEMBLID, SMILES (in SMILES.zip) and descriptor values (Properties.zip). Additionally, the coordinates of compounds and property axes displayed in the linked article are given (Coordinates.zip).

提供机构：

Institute of Computer Science II, Computer Graphics, Friedrich-Ebert-Allee 144, Rheinische Friedrich-Wilhelms-Universität, D-53113 Bonn, Germany.; Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universitat, Dahlmannstr. 2, D-53113 Bonn, Germany.

创建时间：

2015-07-29