ToxCast
EPA's in vitro toxicity screening dataset — ~700 assays × ~9k chemicals.
Composite
85.6
Experimental validation
Retrospective
Stages
Lead ID / ADMETIND-enabling
Modalities
small-molecule
Task types
toxicity
Size
assays: 700
compounds: 9,000
compounds: 9,000
License
Public
First release
2007
Last updated
2024-06
Official site
Leaderboard
→ leaderboard
Dataset
→ dataset
Code / GitHub
→ repository
HuggingFace
→ HF
Paper
The ToxCast Program for Prioritizing Toxicity Testing of Environmental Chemicals · Dix DJ, Houck KA, Martin MT, et al. · 2007 · paper · doi:10.1093/toxsci/kfm297 · 1,900 citations
Flags
none
Experts
Groups
Hosted by
Related benchmarks
Rubric (7-criterion)
rigor
4
coverage
5
maintenance
4
adoption
4
quality
4
accessibility
5
industry_relevance
4
Notes
Regulatory-grade broad tox dataset.