Classification of Matching Molecular Series on the Basis of SAR Phenotypes and Structural Relationships
| Main Authors: | Ghosh, Adhideb, Dimova, Dilyana, Bajorath, Jürgen |
|---|---|
| Format: | info dataset Journal |
| Terbitan: |
, 2016
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| Subjects: | |
| Online Access: |
https://zenodo.org/record/44379 |
Daftar Isi:
- 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.