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Data Sets of Matching Molecular Series
<p>A total of 30,452 and 45,607 target-based MMS are provided for the Ki- and IC50-based data sets from ChEMBL release 17. For each MMS in a target set, the corresponding compounds are given and ordered by increasing potency. The structures of MMS, value fragments and individual compounds are provided in canonical SMILES representation.</p>
ShareScore
32/100
Overall dataset sharing score
Score breakdown
These five areas show where the dataset supports — or may limit — practical reuse.
- Stewardship
- 4
- Harmonization
- 4
- Access
- 16
- Reuse readiness
- 8
- Engagement
- 0