Obach PK Dataset
Obach human PK dataset (t1/2, VDss, CL) — standard human-PK ML benchmark.
Composite
77.0
Experimental validation
Retrospective
Stages
Phase IIND-enablingLead ID / ADMET
Modalities
small-molecule
Task types
pk-regression
Size
compounds: 1,338
endpoints: 3
endpoints: 3
License
MIT
First release
2008
Last updated
2024-06
Official site
Leaderboard
Dataset
→ dataset
Code / GitHub
HuggingFace
→ HF
Paper
Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds · Obach RS, Lombardo F, Waters NJ · 2008 · paper · doi:10.1124/dmd.108.020479 · 820 citations
Flags
none
Experts
Groups
Hosted by
Related benchmarks
Rubric (7-criterion)
rigor
4
coverage
3
maintenance
3
adoption
4
quality
4
accessibility
5
industry_relevance
4
Notes
Small but highest-quality human-PK dataset.