Published result; transcribed, not reproduced.
1 evaluation · 10 results. Different protocols are not a single leaderboard.
Protocol: DEKOIS 2.0 screening by rescoring AF3-predicted complexes (Shen et al. 2025 Table 2, AF3 block) · Dataset: DEKOIS 2.0, 79 targets as scored by Shen et al. 2025
Sorted by AUROC (AUROC, mean over the 79 DEKOIS 2.0 targets) (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 | AUROC (AUROC, mean over the 79 DEKOIS 2.0 targets) | AUROC (AUROC, median over the 79 DEKOIS 2.0 targets) | Bedroc (BEDROC with alpha = 80.5, mean over the 79 DEKOIS 2.0 targets) | Bedroc (BEDROC with alpha = 80.5, median over the 79 DEKOIS 2.0 targets) | Enrichment factor (EF at the top 0.5% of the ranked library, mean over the 79 DEKOIS 2.0 targets) | Enrichment factor (EF at the top 0.5% of the ranked library, median over the 79 DEKOIS 2.0 targets) | Enrichment factor (EF at the top 1% of the ranked library, mean over the 79 DEKOIS 2.0 targets) | Enrichment factor (EF at the top 1% of the ranked library, median over the 79 DEKOIS 2.0 targets) | Enrichment factor (EF at the top 5% of the ranked library, mean over the 79 DEKOIS 2.0 targets) | Enrichment factor (EF at the top 5% of the ranked library, median over the 79 DEKOIS 2.0 targets) |
|---|---|---|---|---|---|---|---|---|---|---|
| RTMScore rescoring of AF3 top-ranked posesEvaluation | 0.865 | 0.906 | 0.674 | 0.787 | 22.4 | 26.6 | 21.3 | 26.2 | 12.3 | 13 |
Applied filters: All linked evaluations
| Tested configuration | Protocol and dataset | Finding | Evidence and details |
|---|---|---|---|
| Configuration: RTMScore rescoring of AF3 top-ranked poses | Protocol: DEKOIS 2.0 screening by rescoring AF3-predicted complexes (Shen et al. 2025 Table 2, AF3 block) Dataset: DEKOIS 2.0, 79 targets as scored by Shen et al. 2025 | 0.865 AUROC (AUROC, mean over the 79 DEKOIS 2.0 targets) 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 checkedMethods, coverage and sourceRTMScore on AF3-predicted DEKOIS 2.0 complexes (Shen et al. 2025 Table 2) hitdisc-20261022-protocol-shen-dekois-rescore-af3 Aggregation: Not reported Shen et al. 2025, Chemical Science (Europe PMC full text) · Table 2, AF3 block, row 'RTMScore', column 'AUROC' (Mean) |
| Configuration: RTMScore rescoring of AF3 top-ranked poses | Protocol: DEKOIS 2.0 screening by rescoring AF3-predicted complexes (Shen et al. 2025 Table 2, AF3 block) Dataset: DEKOIS 2.0, 79 targets as scored by Shen et al. 2025 | 0.906 AUROC (AUROC, median over the 79 DEKOIS 2.0 targets) 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 checkedMethods, coverage and sourceRTMScore on AF3-predicted DEKOIS 2.0 complexes (Shen et al. 2025 Table 2) hitdisc-20261022-protocol-shen-dekois-rescore-af3 Aggregation: Not reported Shen et al. 2025, Chemical Science (Europe PMC full text) · Table 2, AF3 block, row 'RTMScore', column 'AUROC' (Med) |
| Configuration: RTMScore rescoring of AF3 top-ranked poses | Protocol: DEKOIS 2.0 screening by rescoring AF3-predicted complexes (Shen et al. 2025 Table 2, AF3 block) Dataset: DEKOIS 2.0, 79 targets as scored by Shen et al. 2025 | 0.674 Bedroc (BEDROC with alpha = 80.5, mean over the 79 DEKOIS 2.0 targets) 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 checkedMethods, coverage and sourceRTMScore on AF3-predicted DEKOIS 2.0 complexes (Shen et al. 2025 Table 2) hitdisc-20261022-protocol-shen-dekois-rescore-af3 Aggregation: Not reported Shen et al. 2025, Chemical Science (Europe PMC full text) · Table 2, AF3 block, row 'RTMScore', column 'BEDROC (α = 80.5)' (Mean) |
| Configuration: RTMScore rescoring of AF3 top-ranked poses | Protocol: DEKOIS 2.0 screening by rescoring AF3-predicted complexes (Shen et al. 2025 Table 2, AF3 block) Dataset: DEKOIS 2.0, 79 targets as scored by Shen et al. 2025 | 0.787 Bedroc (BEDROC with alpha = 80.5, median over the 79 DEKOIS 2.0 targets) 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 checkedMethods, coverage and sourceRTMScore on AF3-predicted DEKOIS 2.0 complexes (Shen et al. 2025 Table 2) hitdisc-20261022-protocol-shen-dekois-rescore-af3 Aggregation: Not reported Shen et al. 2025, Chemical Science (Europe PMC full text) · Table 2, AF3 block, row 'RTMScore', column 'BEDROC (α = 80.5)' (Med) |
| Configuration: RTMScore rescoring of AF3 top-ranked poses | Protocol: DEKOIS 2.0 screening by rescoring AF3-predicted complexes (Shen et al. 2025 Table 2, AF3 block) Dataset: DEKOIS 2.0, 79 targets as scored by Shen et al. 2025 | 22.4 Enrichment factor (EF at the top 0.5% of the ranked library, mean over the 79 DEKOIS 2.0 targets) 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 checkedMethods, coverage and sourceRTMScore on AF3-predicted DEKOIS 2.0 complexes (Shen et al. 2025 Table 2) hitdisc-20261022-protocol-shen-dekois-rescore-af3 Aggregation: Not reported Shen et al. 2025, Chemical Science (Europe PMC full text) · Table 2, AF3 block, row 'RTMScore', column 'EF0.5%' (Mean) |
| Configuration: RTMScore rescoring of AF3 top-ranked poses | Protocol: DEKOIS 2.0 screening by rescoring AF3-predicted complexes (Shen et al. 2025 Table 2, AF3 block) Dataset: DEKOIS 2.0, 79 targets as scored by Shen et al. 2025 | 26.6 Enrichment factor (EF at the top 0.5% of the ranked library, median over the 79 DEKOIS 2.0 targets) 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 checkedMethods, coverage and sourceRTMScore on AF3-predicted DEKOIS 2.0 complexes (Shen et al. 2025 Table 2) hitdisc-20261022-protocol-shen-dekois-rescore-af3 Aggregation: Not reported Shen et al. 2025, Chemical Science (Europe PMC full text) · Table 2, AF3 block, row 'RTMScore', column 'EF0.5%' (Med) |
| Configuration: RTMScore rescoring of AF3 top-ranked poses | Protocol: DEKOIS 2.0 screening by rescoring AF3-predicted complexes (Shen et al. 2025 Table 2, AF3 block) Dataset: DEKOIS 2.0, 79 targets as scored by Shen et al. 2025 | 21.3 Enrichment factor (EF at the top 1% of the ranked library, mean over the 79 DEKOIS 2.0 targets) 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 checkedMethods, coverage and sourceRTMScore on AF3-predicted DEKOIS 2.0 complexes (Shen et al. 2025 Table 2) hitdisc-20261022-protocol-shen-dekois-rescore-af3 Aggregation: Not reported Shen et al. 2025, Chemical Science (Europe PMC full text) · Table 2, AF3 block, row 'RTMScore', column 'EF1%' (Mean) |
| Configuration: RTMScore rescoring of AF3 top-ranked poses | Protocol: DEKOIS 2.0 screening by rescoring AF3-predicted complexes (Shen et al. 2025 Table 2, AF3 block) Dataset: DEKOIS 2.0, 79 targets as scored by Shen et al. 2025 | 26.2 Enrichment factor (EF at the top 1% of the ranked library, median over the 79 DEKOIS 2.0 targets) 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 checkedMethods, coverage and sourceRTMScore on AF3-predicted DEKOIS 2.0 complexes (Shen et al. 2025 Table 2) hitdisc-20261022-protocol-shen-dekois-rescore-af3 Aggregation: Not reported Shen et al. 2025, Chemical Science (Europe PMC full text) · Table 2, AF3 block, row 'RTMScore', column 'EF1%' (Med) |
| Configuration: RTMScore rescoring of AF3 top-ranked poses | Protocol: DEKOIS 2.0 screening by rescoring AF3-predicted complexes (Shen et al. 2025 Table 2, AF3 block) Dataset: DEKOIS 2.0, 79 targets as scored by Shen et al. 2025 | 12.3 Enrichment factor (EF at the top 5% of the ranked library, mean over the 79 DEKOIS 2.0 targets) 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 checkedMethods, coverage and sourceRTMScore on AF3-predicted DEKOIS 2.0 complexes (Shen et al. 2025 Table 2) hitdisc-20261022-protocol-shen-dekois-rescore-af3 Aggregation: Not reported Shen et al. 2025, Chemical Science (Europe PMC full text) · Table 2, AF3 block, row 'RTMScore', column 'EF5%' (Mean) |
| Configuration: RTMScore rescoring of AF3 top-ranked poses | Protocol: DEKOIS 2.0 screening by rescoring AF3-predicted complexes (Shen et al. 2025 Table 2, AF3 block) Dataset: DEKOIS 2.0, 79 targets as scored by Shen et al. 2025 | 13 Enrichment factor (EF at the top 5% of the ranked library, median over the 79 DEKOIS 2.0 targets) 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 checkedMethods, coverage and sourceRTMScore on AF3-predicted DEKOIS 2.0 complexes (Shen et al. 2025 Table 2) hitdisc-20261022-protocol-shen-dekois-rescore-af3 Aggregation: Not reported Shen et al. 2025, Chemical Science (Europe PMC full text) · Table 2, AF3 block, row 'RTMScore', column 'EF5%' (Med) |
Source checking is not independent reproduction. Release 2026-10-22-1b7cf027e4f6.
0 of 4 readiness checks met. These checks assess whether the evidence supports a reproducible investigation; a source-checked score alone does not meet them.
Release 2026-10-22-1b7cf027e4f6 · Evidence verified: Not verified
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DEKOIS 2.0 screening by rescoring AF3-predicted complexes (Shen et al. 2025 Table 2, AF3 block)
Metadata review: source checked. Unreported conditions prevent automatic comparisons.
No execution recipe has been verified for this exact configuration and evaluation. A benchmark's general instructions may use different inputs, splits or model settings.
Reproducing this published result requires matching its model configuration, data, split and scorer. Source checking or a successful smoke test does not establish score reproduction.
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18 evidence rows matching the loaded filters
| Property and statement | Original source and location | Review and provenance |
|---|---|---|
| Comparison: adaptation None; pretrained models and default or recommended settings Context-only references | Shen et al. 2025, Chemical Science (Europe PMC full text) Table 2, AF3 block, row 'RTMScore' Version: PMC12704515 (Chem Sci, published 2025-12-11) | not individually reviewed No individual claim review recorded author reported Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| Comparison: aggregation Mean and median of the per-target metric over the targets Context-only references | Shen et al. 2025, Chemical Science (Europe PMC full text) Table 2, AF3 block, row 'RTMScore' Version: PMC12704515 (Chem Sci, published 2025-12-11) | not individually reviewed No individual claim review recorded author reported Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| Comparison: budget Not reported Context-only references | Shen et al. 2025, Chemical Science (Europe PMC full text) Table 2, AF3 block, row 'RTMScore' Version: PMC12704515 (Chem Sci, published 2025-12-11) | missing or unspecified No individual claim review recorded author reported Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| Comparison: dataset version DEKOIS 2.0 as distributed at http://www.dekois.com Context-only references | Shen et al. 2025, Chemical Science (Europe PMC full text) Table 2, AF3 block, row 'RTMScore' Version: PMC12704515 (Chem Sci, published 2025-12-11) | not individually reviewed No individual claim review recorded author reported Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| Comparison: inputs Protein sequence and ligand SMILES with pre-computed MSAs; the top-ranked of five AF3-predicted poses is then rescored Context-only references | Shen et al. 2025, Chemical Science (Europe PMC full text) Table 2, AF3 block, row 'RTMScore' Version: PMC12704515 (Chem Sci, published 2025-12-11) | not individually reviewed No individual claim review recorded author reported Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| Comparison: metric implementation AUROC, BEDROC with alpha = 80.5 (the top 2% of the ranked list contributes 80% of the score), and enrichment factors at 0.5%, 1% and 5%, each reported as the mean and the median over targets. EFx% is the ratio of true positives found in the top x% of the ranked compounds relative to random selection. Context-only references | Shen et al. 2025, Chemical Science (Europe PMC full text) Table 2, AF3 block, row 'RTMScore' Version: PMC12704515 (Chem Sci, published 2025-12-11) | not individually reviewed No individual claim review recorded author reported Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| Comparison: population 79 targets, 40 actives and 1200 property-matched decoys each (1:30) Context-only references | Shen et al. 2025, Chemical Science (Europe PMC full text) Table 2, AF3 block, row 'RTMScore' Version: PMC12704515 (Chem Sci, published 2025-12-11) | not individually reviewed No individual claim review recorded author reported Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| Comparison: protocol id hitdisc-20261022-protocol-shen-dekois-rescore-af3 Context-only references | Shen et al. 2025, Chemical Science (Europe PMC full text) Table 2, AF3 block, row 'RTMScore' Version: PMC12704515 (Chem Sci, published 2025-12-11) | not individually reviewed No individual claim review recorded author reported Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| Comparison: split All 79 evaluated targets; no training or test split applies Context-only references | Shen et al. 2025, Chemical Science (Europe PMC full text) Table 2, AF3 block, row 'RTMScore' Version: PMC12704515 (Chem Sci, published 2025-12-11) | not individually reviewed No individual claim review recorded author reported Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| Origin author_reported Context-only references | Shen et al. 2025, Chemical Science (Europe PMC full text) Table 2, AF3 block, row 'RTMScore' Version: PMC12704515 (Chem Sci, published 2025-12-11) | not individually reviewed No individual claim review recorded author reported 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-eval-dekois-rescore-af3-rescore-rtmscore-on-af3-poses