Published January 6, 2016
| Version v1
Dataset
Open
Classification of Matching Molecular Series on the Basis of SAR Phenotypes and Structural Relationships
Authors/Creators
- 1. 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
Description
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.
Files
Files
(1.7 MB)
| Name | Size | Download all |
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md5:5c4a38720beff9cd8c83fc4ba9d04e8d
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1.7 MB | Download |