Classification Of Matching Molecular Series On The Basis Of Sar Phenotypes And Structural Relationships

Name: Classification Of Matching Molecular Series On The Basis Of Sar Phenotypes And Structural Relationships
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: 2016-01-06T00:00:00+08:00

Zenodo2016-01-06 更新2026-04-07 收录

药物化学SAR分析

分子系列分类

数据链接：

http://zenodo.org/record/44379 数据链接链接失效反馈

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资源简介：

A database comprising a total of 13,236 pairs of MMS with different SAR characteristics is provided. For each pair the corresponding MMS-cores are provided as SMILES. In addition, for each MMS-core the number of compounds and the SAR phenotype are given. ChEMBL target IDs (CHEMBLID_Target) designate target sets from which the MMS pairs originate.

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：

2016-01-06