zenodoopen
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
Dataset details
- Repository
- zenodo
- Published
- February 12, 2014
- License
- cc-zero
- DOI
- 10.5281/zenodo.8342
Scored with release 0.9.0
ScienceDex for faculty
Your academic CV and NIH biosketch
Make your CV in your school's format and your NIH biosketch from it, then download both as Word files.