DILI / LD50 Zhu

Drug-induced liver injury + rat LD50 (Zhu) — standard acute tox benchmarks.

Composite
73.9
Experimental validation
Retrospective
Stages
IND-enablingLead ID / ADMET
Modalities
small-molecule
Task types
toxicity-regression
Size
dili_molecules: 475
ld50_molecules: 7,385
License
MIT
First release
2021-02
Last updated
2024-12
Official site
→ project page
Leaderboard
→ leaderboard
Dataset
→ dataset
Code / GitHub
→ repository
HuggingFace
→ HF
Paper
Quantitative structure-activity relationship modeling of rat acute toxicity · Zhu H, Martin TM, Ye L, et al. · 2009 · paper · doi:10.1021/tx900189p · 460 citations
Flags
none
Experts
Kexin Huang
Groups
Therapeutics Data Commons
Hosted by
Therapeutics Data Commons (TDC), Drug Discovery Benchmarks (DDB)
Related benchmarks
TDC ADMET Group, Tox21, ToxCast

Rubric (7-criterion)

rigor
4
coverage
2
maintenance
4
adoption
4
quality
3
accessibility
5
industry_relevance
4

Notes

Essential IND-enabling endpoints.

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