ADMET-AI
Graph-based ADMET prediction + benchmark on 41 endpoints leveraging ChEMBL + TDC.
Composite score: 79.5
Rubric (1–5 per criterion)
rigor
4/5
coverage
4/5
maintenance
4/5
adoption
3/5
quality
4/5
accessibility
5/5
industry_relevance
4/5
Metadata
Stages
Lead ID / ADMET
Modalities
small-molecule
Task types
regressionclassification
License
MIT
First release
2023-11
Last updated
2024-12
Flags
none
Size & scope
- endpoints: 41
- molecules: 90000
Primary paper
Title
ADMET-AI: a machine learning ADMET platform for evaluation of large-scale chemical libraries
Authors
Swanson K, Walther P, Leitz J, et al.
Year
2023
DOI / arXiv
Citations
85
Links
- Official site: https://admet.ai.greenstonebio.com/
- GitHub: https://github.com/swansonk14/admet_ai
- Leaderboard: N/A
Hosted by (initiatives)
- not hosted by any tracked initiative
Experts (primary authors / maintainers)
Groups (host labs / companies / consortia)
Related benchmarks
Notes (honest caveats)
Strong baselines + web tool; builds on TDC.