Collection Of Analog Series-Based (Asb) Scaffolds Shared Between Zinc, Chembl, And Pubchem

Name: Collection Of Analog Series-Based (Asb) Scaffolds Shared Between Zinc, Chembl, And Pubchem
Creator: Department of Pharmacy, "Drug Discovery" Laboratory, University of Naples Federico II, 80131 Naples, Italy; 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: 2017-11-07T00:00:00+08:00

Zenodo2017-11-07 更新2026-04-07 收录

药物分子骨架

跨数据库化合物比对

数据链接：

https://zenodo.org/record/1043536 数据链接链接失效反馈

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资源简介：

Analog series-based (ASB) scaffolds shared between ZINC and ChEMBL (version 22), ZINC and PubChem and all the three databases are provided as three separate files. For each ASB scaffold, the SMILES representation of ZINC compounds is provided. In addition, the number of ZINC compounds, the number and the list of targets it was annotated with is reported. A README file is also given.

提供机构：

Department of Pharmacy, "Drug Discovery" Laboratory, University of Naples Federico II, 80131 Naples, Italy; 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：

2017-11-07