DEKOIS 2.0

Decoy sets matched to actives by physicochemical properties for structure-based VS.

Composite

57.5

Experimental validation

Retrospective

Stages

Hit ID

Modalities

small-molecule

Task types

virtual-screening

Size

targets: 81
actives_per_target: 40

License

CC-BY

First release

2013

Last updated

2019

Official site

→ project page

Leaderboard

→ leaderboard

Dataset

→ dataset

Code / GitHub

→ repository

HuggingFace

→ HF

Paper

DEKOIS 2.0 – A Public Resource for Benchmarking Structure-based Virtual Screening · Bauer MR, Ibrahim TM, Vogel SM, Boeckler FM · 2013 · paper · doi:10.1021/ci400115b · 190 citations

Flags

deprecated-recommend-replace

Experts

—

Groups

Tübingen (Boeckler Lab)

Hosted by

—

Related benchmarks

DUD-E, LIT-PCBA

Rubric (7-criterion)

rigor

coverage

maintenance

adoption

quality

accessibility

industry_relevance

Notes

Historical reference; use LIT-PCBA / PLINDER for modern VS.

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