DOCK3.7 (Kim, Correy, Hall et al. 2026 hit-list re-ranking)

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Evaluations and results

3 evaluations · 3 results. Different protocols are not a single leaderboard.

Sorted by AUROC (Discrimination of measured binders from high-ranking docking false positives in the tested AmpC beta-lactamase hit list) (higher is better). The best value in each column is highlighted. Decimals are rounded for display; each value links to the printed value and its source.

Tested configuration	Protocol and dataset	AUROC (Discrimination of measured binders from high-ranking docking false positives in the tested AmpC beta-lactamase hit list)	AUROC (Discrimination of measured binders from high-ranking docking false positives in the tested dopamine D4 receptor hit list)	AUROC (Discrimination of measured binders from high-ranking docking false positives in the tested sigma-2 receptor hit list)
DOCK3.7 (Kim, Correy, Hall et al. 2026 hit-list re-ranking)Evaluation	Re-ranking the AmpC beta-lactamase docking hit list by co-folding and docking scores (Kim, Correy, Hall et al. 2026), AmpC beta-lactamase docking hit list, 1293 tested compounds	AUC = 76.5	Not reported	Not reported
DOCK3.7 (Kim, Correy, Hall et al. 2026 hit-list re-ranking)Evaluation	Re-ranking the Dopamine D4 receptor docking hit list by co-folding and docking scores (Kim, Correy, Hall et al. 2026), Dopamine D4 receptor docking hit list, 541 tested compounds	Not reported	AUC ~ 71	Not reported
DOCK3.7 (Kim, Correy, Hall et al. 2026 hit-list re-ranking)Evaluation	Re-ranking the Sigma-2 receptor docking hit list by co-folding and docking scores (Kim, Correy, Hall et al. 2026), Sigma-2 receptor docking hit list, 506 tested compounds	Not reported	Not reported	AUC = 78.8

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Tested configuration	Protocol and dataset	Finding	Evidence and details
Configuration: DOCK3.7 (Kim, Correy, Hall et al. 2026 hit-list re-ranking)	Protocol: Re-ranking the AmpC beta-lactamase docking hit list by co-folding and docking scores (Kim, Correy, Hall et al. 2026) Dataset: AmpC beta-lactamase docking hit list, 1293 tested compounds	AUC = 76.5 AUROC (Discrimination of measured binders from high-ranking docking false positives in the tested AmpC beta-lactamase hit list) unitless · higher Uncertainty: Not reported by the source: The source prints no interval or spread for this value Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source DOCK3.7 energy re-ranking the AmpC beta-lactamase docking hit list (Kim, Correy, Hall et al. 2026) hitdisc-20261022-protocol-kim-ampc Aggregation: Not reported Kim, Correy, Hall et al. 2026, eLife 15:RP110475 (Europe PMC full text) · Results 'Co-folding struggles to reliably re-rank docking hit lists', paragraph on AmpC; printed in the body text as 'AUC = 76.5'
Configuration: DOCK3.7 (Kim, Correy, Hall et al. 2026 hit-list re-ranking)	Protocol: Re-ranking the Dopamine D4 receptor docking hit list by co-folding and docking scores (Kim, Correy, Hall et al. 2026) Dataset: Dopamine D4 receptor docking hit list, 541 tested compounds	AUC ~ 71 AUROC (Discrimination of measured binders from high-ranking docking false positives in the tested dopamine D4 receptor hit list) unitless · higher Uncertainty: Not reported by the source: The source prints no interval or spread for this value Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source DOCK3.7 energy re-ranking the dopamine D4 receptor docking hit list (Kim, Correy, Hall et al. 2026) hitdisc-20261022-protocol-kim-d4 Aggregation: Not reported Kim, Correy, Hall et al. 2026, eLife 15:RP110475 (Europe PMC full text) · Results 'Co-folding struggles to reliably re-rank docking hit lists', paragraph on the dopamine D4 receptor; printed in the body text as 'AUC ~ 71'
Configuration: DOCK3.7 (Kim, Correy, Hall et al. 2026 hit-list re-ranking)	Protocol: Re-ranking the Sigma-2 receptor docking hit list by co-folding and docking scores (Kim, Correy, Hall et al. 2026) Dataset: Sigma-2 receptor docking hit list, 506 tested compounds	AUC = 78.8 AUROC (Discrimination of measured binders from high-ranking docking false positives in the tested sigma-2 receptor hit list) unitless · higher Uncertainty: Not reported by the source: The source prints no interval or spread for this value Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source DOCK3.7 energy re-ranking the sigma-2 receptor docking hit list (Kim, Correy, Hall et al. 2026) hitdisc-20261022-protocol-kim-sigma2 Aggregation: Not reported Kim, Correy, Hall et al. 2026, eLife 15:RP110475 (Europe PMC full text) · Results 'Co-folding struggles to reliably re-rank docking hit lists', paragraph on the sigma-2 dataset; printed in the body text as 'AUC = 78.8'

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Release 2026-10-22-1b7cf027e4f6 · Record review: source checked

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Kim, Correy, Hall et al. 2026, eLife 15:RP110475 (Europe PMC full text) · Original source · PMC13657626 (eLife 2026;15:RP110475, version of record published 2026-10-12)

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Technical metadata and extraction receipts

Stable ID: hitdisc-20261022-config-kim-dock37

areas: molecular-interactions
contexts: research
method types: conventional_pipeline
reported name: DOCK3.7
configuration type: paper_evaluation
foundation model eligible: false
review: method: scope-review; automated-source-review; reviewer: claude; reviewer note: Claude review agent, independent of the extraction agent; no human review claimed; date: 2026-10-22; method note: Read the record against the pinned sources and against docs/use-cases.md and docs/record-contract.md.; note: Record checked against the pinned source and the record contract. Transcription checked; not reproduced and not reviewed by a human scientist.; artifact sha256: 9be510b7b0cc152ff56a03c96877bf06b6a6bdeffdb4baecf8e999a6bf155aa6; retrieval url: https://www.ebi.ac.uk/europepmc/webservices/rest/PMC13657626/fullTextXML; receipt: data/omics/use-case-coverage-hitdisc-20261022/review.json
missing metadata: version: reason: unreported; note: The source cites the tool's repository but states no version or release for it
access reuse: Repositories named in Methods 'Co-folding'; input and analysis scripts at https://github.com/jongbin99/cofold-em
hardware: None recorded
score training overlap: Training cutoffs stated for the Mac1 arm: Chai-1 entries deposited before 2021-12-01, AlphaFold3 before 2021-09-30, Boltz-2 2023-06-01. No training-overlap control is stated for the three docking hit lists.
source locator: Methods 'Co-folding'; Methods 'Molecular docking of Mac1 compounds'

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