Obach PK Dataset
Obach human PK dataset (t1/2, VDss, CL) — standard human-PK ML benchmark.
Composite score: 77.0
Rubric (1–5 per criterion)
rigor
4/5
coverage
3/5
maintenance
3/5
adoption
4/5
quality
4/5
accessibility
5/5
industry_relevance
4/5
Metadata
Stages
Phase IIND-enablingLead ID / ADMET
Modalities
small-molecule
Task types
pk-regression
License
MIT
First release
2008
Last updated
2024-06
Flags
none
Size & scope
- compounds: 1338
- endpoints: 3
Primary paper
Title
Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds
Authors
Obach RS, Lombardo F, Waters NJ
Year
2008
DOI / arXiv
Citations
820
Links
- Official site: https://tdcommons.ai/single_pred_tasks/adme/#half-life-obach-et-al
- GitHub: https://github.com/mims-harvard/TDC
- Leaderboard: https://tdcommons.ai/benchmark/admet_group/
Hosted by (initiatives)
Experts (primary authors / maintainers)
Groups (host labs / companies / consortia)
Related benchmarks
Notes (honest caveats)
Small but highest-quality human-PK dataset.