hERG (cardio-tox) TDC
Cardiac tox benchmark (hERG inhibition) — standardized from Wang et al.
Composite score: 73.9
Rubric (1–5 per criterion)
rigor
4/5
coverage
2/5
maintenance
4/5
adoption
4/5
quality
3/5
accessibility
5/5
industry_relevance
4/5
Metadata
Stages
IND-enablingLead ID / ADMET
Modalities
small-molecule
Task types
toxicity-classification
License
MIT
First release
2021-02
Last updated
2025-01
Flags
none
Size & scope
- molecules: 655
- assays: 1
Primary paper
Title
Therapeutics Data Commons
Authors
Huang K, Fu T, et al.
Year
2021
DOI / arXiv
Citations
620
Links
- Official site: https://tdcommons.ai/single_pred_tasks/tox/#herg
- GitHub: https://github.com/mims-harvard/TDC
- Leaderboard: https://tdcommons.ai/benchmark/admet_group/24herg/
Hosted by (initiatives)
Experts (primary authors / maintainers)
Groups (host labs / companies / consortia)
Related benchmarks
Notes (honest caveats)
Small but widely benchmarked. Industry pairs with SafetyPanel-5.