DUD-E

Directory of Useful Decoys — Enhanced. 102 targets × actives + property-matched decoys.

Composite
72.9
Experimental validation
Retrospective
Stages
Hit ID
Modalities
small-molecule
Task types
virtual-screening
Size
targets: 102
actives: 22,886
decoys: 1,411,214
License
CC-BY
First release
2012
Last updated
2014
Official site
→ project page
Leaderboard
→ leaderboard
Dataset
→ dataset
Code / GitHub
→ repository
HuggingFace
→ HF
Paper
Directory of Useful Decoys, Enhanced (DUD-E) · Mysinger MM, Carchia M, Irwin JJ, Shoichet BK · 2012 · paper · doi:10.1021/jm300687e · 2,900 citations
Flags
data-leakage-knowndeprecated-recommend-replace
Experts
Brian Shoichet, John Irwin
Groups
Shoichet Lab (UCSF)
Hosted by
Therapeutics Data Commons (TDC)
Related benchmarks
LIT-PCBA, DEKOIS 2.0, PLINDER

Rubric (7-criterion)

rigor
4
coverage
4
maintenance
1
adoption
5
quality
3
accessibility
5
industry_relevance
3

Notes

Well-known analog bias in decoy selection; use LIT-PCBA / PLINDER for fair VS.

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