ClinTox
Binary classification of FDA-approved vs. trial-failed-for-toxicity compounds.
Composite score: 65.6
Rubric (1–5 per criterion)
rigor
3/5
coverage
2/5
maintenance
2/5
adoption
5/5
quality
3/5
accessibility
5/5
industry_relevance
3/5
Metadata
Stages
Lead ID / ADMETIND-enabling
Modalities
small-molecule
Task types
toxicity-classification
License
MIT
First release
2015
Last updated
2022
Flags
data-leakage-known
Size & scope
- compounds: 1491
Primary paper
Title
Deep learning for drug-induced liver injury
Authors
Xu Y, Dai Z, Chen F, et al.
Year
2015
DOI / arXiv
Citations
380
Links
- Official site: https://moleculenet.org/datasets-1
- GitHub: https://github.com/deepchem/deepchem
- Leaderboard: N/A
Hosted by (initiatives)
Experts (primary authors / maintainers)
Groups (host labs / companies / consortia)
Related benchmarks
Notes (honest caveats)
Small, binary; saturated. Useful only as sanity check.