Pains Containing Analog Series

Name: Pains Containing Analog Series
Creator: Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Dahlmannstr. 2, Rheinische Friedrich-Wilhelms-Universität, D-53113 Bonn, Germany
Published: 2017-07-18T00:00:00+08:00

Zenodo2017-07-18 更新2026-04-07 收录

PAINS类似系列分析

药物筛选干扰化合物

数据链接：

https://zenodo.org/record/831445 数据链接链接失效反馈

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资源简介：

The file contains analog series that consist exclusively of compounds with PAINS motifs and analog series that contain both PAINS and non-PAINS. For all 54,384 compounds ("cid(PubChem)") in these analog series their corresponding PAINS classes ("PAINS Class") and analog series ID ("ASs ID") are given. Compound IDs ("cid(PubChem)") refer to the original PubChem compound identifiers. All analog series are annotated as 'PAINS' or 'PAINS+non-PAINS' ("ASs Type") respectively to their overall composition.

提供机构：

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

创建时间：

2017-07-18