The 1293 compounds from a 1.7-billion molecule DOCK3.7 screen against AmpC beta-lactamase that were synthesised and assayed, split into measured inhibitors and high-ranking docking false positives.
3 evaluations · 3 results. Different protocols are not a single leaderboard.
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12 evidence rows matching the loaded filters
| Property and statement | Original source and location | Review and provenance |
|---|---|---|
| Access Supplementary file 5; hit lists from https://lsd.docking.org/ Context-only references | Kim, Correy, Hall et al. 2026, eLife 15:RP110475 (Europe PMC full text) Results 'Co-folding struggles to reliably re-rank docking hit lists'; Methods 'Benchmarking co-folding on experimentally validated compounds' Version: PMC13657626 (eLife 2026;15:RP110475, version of record published 2026-10-12) | not individually reviewed No individual claim review recorded Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| Assay Enzyme inhibition, apparent Ki Context-only references | Kim, Correy, Hall et al. 2026, eLife 15:RP110475 (Europe PMC full text) Results 'Co-folding struggles to reliably re-rank docking hit lists'; Methods 'Benchmarking co-folding on experimentally validated compounds' Version: PMC13657626 (eLife 2026;15:RP110475, version of record published 2026-10-12) | not individually reviewed No individual claim review recorded Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| Label semantics True hit: apparent Ki below 400 uM. The rest are non-binders, which are high-ranking docking false positives rather than property-matched decoys. Context-only references | Kim, Correy, Hall et al. 2026, eLife 15:RP110475 (Europe PMC full text) Results 'Co-folding struggles to reliably re-rank docking hit lists'; Methods 'Benchmarking co-folding on experimentally validated compounds' Version: PMC13657626 (eLife 2026;15:RP110475, version of record published 2026-10-12) | not individually reviewed No individual claim review recorded Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| Negatives 1046 Context-only references | Kim, Correy, Hall et al. 2026, eLife 15:RP110475 (Europe PMC full text) Results 'Co-folding struggles to reliably re-rank docking hit lists'; Methods 'Benchmarking co-folding on experimentally validated compounds' Version: PMC13657626 (eLife 2026;15:RP110475, version of record published 2026-10-12) | not individually reviewed No individual claim review recorded Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| Population 1293 tested compounds sampled from scoring bins within the top-scoring 1% of 1.7 billion docked molecules: 247 true hits and 1046 non-binders Context-only references | Kim, Correy, Hall et al. 2026, eLife 15:RP110475 (Europe PMC full text) Results 'Co-folding struggles to reliably re-rank docking hit lists'; Methods 'Benchmarking co-folding on experimentally validated compounds' Version: PMC13657626 (eLife 2026;15:RP110475, version of record published 2026-10-12) | not individually reviewed No individual claim review recorded Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| Positives 247 Context-only references | Kim, Correy, Hall et al. 2026, eLife 15:RP110475 (Europe PMC full text) Results 'Co-folding struggles to reliably re-rank docking hit lists'; Methods 'Benchmarking co-folding on experimentally validated compounds' Version: PMC13657626 (eLife 2026;15:RP110475, version of record published 2026-10-12) | not individually reviewed No individual claim review recorded Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| Source location Results 'Co-folding struggles to reliably re-rank docking hit lists'; Methods 'Benchmarking co-folding on experimentally validated compounds' Context-only references | Kim, Correy, Hall et al. 2026, eLife 15:RP110475 (Europe PMC full text) Results 'Co-folding struggles to reliably re-rank docking hit lists'; Methods 'Benchmarking co-folding on experimentally validated compounds' Version: PMC13657626 (eLife 2026;15:RP110475, version of record published 2026-10-12) | not individually reviewed No individual claim review recorded Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| Split Whole tested set; no training or test split applies Context-only references | Kim, Correy, Hall et al. 2026, eLife 15:RP110475 (Europe PMC full text) Results 'Co-folding struggles to reliably re-rank docking hit lists'; Methods 'Benchmarking co-folding on experimentally validated compounds' Version: PMC13657626 (eLife 2026;15:RP110475, version of record published 2026-10-12) | not individually reviewed No individual claim review recorded Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| Total 1293 Context-only references | Kim, Correy, Hall et al. 2026, eLife 15:RP110475 (Europe PMC full text) Results 'Co-folding struggles to reliably re-rank docking hit lists'; Methods 'Benchmarking co-folding on experimentally validated compounds' Version: PMC13657626 (eLife 2026;15:RP110475, version of record published 2026-10-12) | not individually reviewed No individual claim review recorded Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| Version Compounds and measured potencies as provided in Supplementary file 5; the hit lists are available from https://lsd.docking.org/ Context-only references | Kim, Correy, Hall et al. 2026, eLife 15:RP110475 (Europe PMC full text) Results 'Co-folding struggles to reliably re-rank docking hit lists'; Methods 'Benchmarking co-folding on experimentally validated compounds' Version: PMC13657626 (eLife 2026;15:RP110475, version of record published 2026-10-12) | not individually reviewed No individual claim review recorded Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
Release 2026-10-22-1b7cf027e4f6 · Record review: source checked
Stable ID: hitdisc-20261022-dataset-kim-ampc