Simcyp Validation Sets
PBPK validation datasets used by Simcyp/Certara community (DDI, pediatric, renal impairment).
Composite
74.4
Experimental validation
Retrospective
Stages
Phase IPhase IIIND-enabling
Modalities
small-molecule
Task types
pbpk-validation
Size
scenarios: 100
License
Proprietary
First release
2001
Last updated
2024
Official site
Leaderboard
→ leaderboard
Dataset
Code / GitHub
→ repository
HuggingFace
→ HF
Paper
Physiologically based pharmacokinetic modeling: Methods and applications in pharmacotherapy · Rostami-Hodjegan A, Tucker GT · 2007 · paper · doi:10.1038/nrd2173 · 780 citations
Flags
license-gated-commercial
Experts
Groups
Hosted by
—
Related benchmarks
Rubric (7-criterion)
rigor
4
coverage
3
maintenance
4
adoption
4
quality
4
accessibility
2
industry_relevance
5
Notes
Industry gold standard but proprietary. Open benchmarks exist via OSP Suite.