The 541 compounds from a 138-million molecule DOCK3.7 screen against the dopamine D4 receptor that were synthesised and assayed, split into measured binders 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 Radioligand displacement of [3H]N-methylspiperone, single concentration at 10 uM 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 7.8 uM, from 25% displacement of [3H]N-methylspiperone measured at 10 uM and converted with the Cheng-Prusoff equation. 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 336 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 541 tested compounds from a 138-million molecule screen: 205 true hits and 336 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 205 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 541 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-d4