| Comparison: adaptation None; default or recommended settings Context-only references | Shen et al. 2025, Chemical Science (Europe PMC full text) Original source ↗ Table 5, row '(row continued, sample count 1)', column 'Number of samples' = 1 Version: PMC12704515 (Chem Sci, published 2025-12-11) Retrieved: 2026-10-22T11:52:32Z | not individually reviewed No individual claim review recorded author reported Audit detailsField: attributes.comparison.adaptation Source artifact SHA-256: 11a4cee97057d9e72f9393024d22fdd169e3134f493367eee2f7869facf9ccf8 Hash scope: Hash scope not separately documented; inspect source record |
|---|
| Comparison: aggregation Per target, and the average over the five targets Context-only references | Shen et al. 2025, Chemical Science (Europe PMC full text) Original source ↗ Table 5, row '(row continued, sample count 1)', column 'Number of samples' = 1 Version: PMC12704515 (Chem Sci, published 2025-12-11) Retrieved: 2026-10-22T11:52:32Z | not individually reviewed No individual claim review recorded author reported Audit detailsField: attributes.comparison.aggregation Source artifact SHA-256: 11a4cee97057d9e72f9393024d22fdd169e3134f493367eee2f7869facf9ccf8 Hash scope: Hash scope not separately documented; inspect source record |
|---|
| Comparison: budget One NVIDIA H100 with 80 GB of memory Context-only references | Shen et al. 2025, Chemical Science (Europe PMC full text) Original source ↗ Table 5, row '(row continued, sample count 1)', column 'Number of samples' = 1 Version: PMC12704515 (Chem Sci, published 2025-12-11) Retrieved: 2026-10-22T11:52:32Z | not individually reviewed No individual claim review recorded author reported Audit detailsField: attributes.comparison.budget Source artifact SHA-256: 11a4cee97057d9e72f9393024d22fdd169e3134f493367eee2f7869facf9ccf8 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) Original source ↗ Table 5, row '(row continued, sample count 1)', column 'Number of samples' = 1 Version: PMC12704515 (Chem Sci, published 2025-12-11) Retrieved: 2026-10-22T11:52:32Z | not individually reviewed No individual claim review recorded author reported Audit detailsField: attributes.comparison.dataset_version Source artifact SHA-256: 11a4cee97057d9e72f9393024d22fdd169e3134f493367eee2f7869facf9ccf8 Hash scope: Hash scope not separately documented; inspect source record |
|---|
| Comparison: inputs Pre-computed MSAs and ligand SMILES Context-only references | Shen et al. 2025, Chemical Science (Europe PMC full text) Original source ↗ Table 5, row '(row continued, sample count 1)', column 'Number of samples' = 1 Version: PMC12704515 (Chem Sci, published 2025-12-11) Retrieved: 2026-10-22T11:52:32Z | not individually reviewed No individual claim review recorded author reported Audit detailsField: attributes.comparison.inputs Source artifact SHA-256: 11a4cee97057d9e72f9393024d22fdd169e3134f493367eee2f7869facf9ccf8 Hash scope: Hash scope not separately documented; inspect source record |
|---|
| Comparison: metric implementation Total time for a target divided by its number of compounds Context-only references | Shen et al. 2025, Chemical Science (Europe PMC full text) Original source ↗ Table 5, row '(row continued, sample count 1)', column 'Number of samples' = 1 Version: PMC12704515 (Chem Sci, published 2025-12-11) Retrieved: 2026-10-22T11:52:32Z | not individually reviewed No individual claim review recorded author reported Audit detailsField: attributes.comparison.metric_implementation Source artifact SHA-256: 11a4cee97057d9e72f9393024d22fdd169e3134f493367eee2f7869facf9ccf8 Hash scope: Hash scope not separately documented; inspect source record |
|---|
| Comparison: population Five DEKOIS 2.0 targets (a2a, ar, cdk2, ctsk, hdac2), 400 decoys per target Context-only references | Shen et al. 2025, Chemical Science (Europe PMC full text) Original source ↗ Table 5, row '(row continued, sample count 1)', column 'Number of samples' = 1 Version: PMC12704515 (Chem Sci, published 2025-12-11) Retrieved: 2026-10-22T11:52:32Z | not individually reviewed No individual claim review recorded author reported Audit detailsField: attributes.comparison.population Source artifact SHA-256: 11a4cee97057d9e72f9393024d22fdd169e3134f493367eee2f7869facf9ccf8 Hash scope: Hash scope not separately documented; inspect source record |
|---|
| Comparison: protocol id hitdisc-20261022-protocol-shen-speed Context-only references | Shen et al. 2025, Chemical Science (Europe PMC full text) Original source ↗ Table 5, row '(row continued, sample count 1)', column 'Number of samples' = 1 Version: PMC12704515 (Chem Sci, published 2025-12-11) Retrieved: 2026-10-22T11:52:32Z | not individually reviewed No individual claim review recorded author reported Audit detailsField: attributes.comparison.protocol_id Source artifact SHA-256: 11a4cee97057d9e72f9393024d22fdd169e3134f493367eee2f7869facf9ccf8 Hash scope: Hash scope not separately documented; inspect source record |
|---|
| Comparison: split Five representative targets with 400 randomly selected decoys each Context-only references | Shen et al. 2025, Chemical Science (Europe PMC full text) Original source ↗ Table 5, row '(row continued, sample count 1)', column 'Number of samples' = 1 Version: PMC12704515 (Chem Sci, published 2025-12-11) Retrieved: 2026-10-22T11:52:32Z | not individually reviewed No individual claim review recorded author reported Audit detailsField: attributes.comparison.split Source artifact SHA-256: 11a4cee97057d9e72f9393024d22fdd169e3134f493367eee2f7869facf9ccf8 Hash scope: Hash scope not separately documented; inspect source record |
|---|
| Inference hardware A single NVIDIA H100 with 80 GB of memory Context-only references | Shen et al. 2025, Chemical Science (Europe PMC full text) Original source ↗ Table 5, row '(row continued, sample count 1)', column 'Number of samples' = 1 Version: PMC12704515 (Chem Sci, published 2025-12-11) Retrieved: 2026-10-22T11:52:32Z | not individually reviewed No individual claim review recorded author reported Audit detailsField: attributes.inference_hardware Source artifact SHA-256: 11a4cee97057d9e72f9393024d22fdd169e3134f493367eee2f7869facf9ccf8 Hash scope: Hash scope not separately documented; inspect source record |
|---|