Published April 9, 2021
| Version v1
Dataset
Open
Metacores
Authors/Creators
- 1. Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Friedrich-Hirzebruch-Allee 6, D-53115 Bonn, Germany
Description
Deposited are the 317 metacores ("Metacores") extracted from multi-target analog series isolated from high-confidence ChEMBL data (version 26). Associated target information ("ChEMBL-TargetIDs") and ASs-cores ("CCR-cores[ASs]") togehter with the analog compounds ("ChEMBL-CompoundIDs") are reported.
Files
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