Published result; transcribed, not reproduced.
1 evaluation · 10 results. Different protocols are not a single leaderboard.
Protocol: DEKOIS 2.0 screening by rescoring Protenix-predicted complexes (Shen et al. 2025 Table 2, Protenix 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) |
|---|---|---|---|---|---|---|---|---|---|---|
| Gnina (Vinardo) rescoring of Protenix top-ranked posesEvaluation | 0.751 | 0.767 | 0.259 | 0.225 | 8.8 | 4.43 | 8.15 | 7.15 | 5.08 | 4.5 |
Applied filters: All linked evaluations
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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, Protenix block, row 'Gnina (Vinardo)' 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, Protenix block, row 'Gnina (Vinardo)' 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, Protenix block, row 'Gnina (Vinardo)' 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, Protenix block, row 'Gnina (Vinardo)' 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 Protenix-predicted poses is then rescored Context-only references | Shen et al. 2025, Chemical Science (Europe PMC full text) Table 2, Protenix block, row 'Gnina (Vinardo)' 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, Protenix block, row 'Gnina (Vinardo)' 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, Protenix block, row 'Gnina (Vinardo)' 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-protenix Context-only references | Shen et al. 2025, Chemical Science (Europe PMC full text) Table 2, Protenix block, row 'Gnina (Vinardo)' 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, Protenix block, row 'Gnina (Vinardo)' 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, Protenix block, row 'Gnina (Vinardo)' 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-protenix-rescore-gnina-vinardo-on-protenix-poses