Published result; transcribed, not reproduced.
1 evaluation · 9 results. Different protocols are not a single leaderboard.
Protocol: CACHE #3 merged Round 1 library prediction per workflow (Herasymenko et al. 2026 Table S8) · Dataset: CACHE #3 Round 1 compound library
Sorted by Cache challenge normalized hit score (Confirmed Tier 1 (chemically novel) hits among the workflow's predicted actives on the merged 1739-compound library, per 1000 compounds predicted active. The cell is stored as the formula 1000*N/L, that is 1000 times the Tier 1 count in column N divided by the predicted-active count in column L.) (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 | Cache challenge normalized hit score (Confirmed Tier 1 (chemically novel) hits among the workflow's predicted actives on the merged 1739-compound library, per 1000 compounds predicted active. The cell is stored as the formula 1000*N/L, that is 1000 times the Tier 1 count in column N divided by the predicted-active count in column L.) | Cache challenge normalized hit score (Confirmed Tier 1 and Tier 2 hits combined among the workflow's predicted actives on the merged 1739-compound library, per 1000 compounds predicted active. The cell is stored as the formula R+S, the sum of the two preceding columns.) | Cache challenge normalized hit score (Confirmed Tier 2 (not novel) hits among the workflow's predicted actives on the merged 1739-compound library, per 1000 compounds predicted active. The cell is stored as the formula 1000*O/L, that is 1000 times the Tier 2 count in column O divided by the predicted-active count in column L.) | Count (Compounds of the merged 1739-compound Round 1 library the workflow predicted to be active) | Count (Compounds of the merged 1739-compound Round 1 library the workflow predicted to be weakly active) | Count (Confirmed Tier 1 (chemically novel) hits among the workflow's predicted-active compounds on the merged library) | Count (Confirmed Tier 1 (chemically novel) hits among the workflow's predicted-weak compounds on the merged library) | Count (Confirmed Tier 2 (not novel) hits among the workflow's predicted-active compounds on the merged library) | Count (Confirmed Tier 2 (not novel) hits among the workflow's predicted-weak compounds on the merged library) |
|---|---|---|---|---|---|---|---|---|---|
| CACHE #3 workflow WF1718Evaluation | 0 | 36.6 | 36.6 | 191 | 0 | 0 | 0 | 7 | 0 |
Applied filters: All linked evaluations
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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CACHE #3 merged Round 1 library prediction per workflow (Herasymenko et al. 2026 Table S8)
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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One row per statement and cited source. Multiple citations are not independent evaluations. Shared locators are labelled explicitly.
19 evidence rows matching the loaded filters
| Property and statement | Original source and location | Review and provenance |
|---|---|---|
| Comparison: adaptation Each team's own workflow, submitted before any experimental result was known Context-only references | Herasymenko et al. 2026, CACHE Challenge #3, Supporting Information workbook ci5c02441_si_002.xlsx Sheet 'S8', row with Workflow = 1718 Version: ci5c02441_si_002.xlsx, member of the Europe PMC supplementary archive of PMC12892310 | not individually reviewed No individual claim review recorded author reported Audit detailsField: Source artifact SHA-256: Hash scope: artifact_sha256 is the SHA-256 of the member file ci5c02441_si_002.xlsx. The Europe PMC supplementaryFiles endpoint assembles a zip per request, so the archive's own hash is not stable; the member file's bytes are. The publisher's direct supplement URL (https://pubs.acs.org/doi/suppl/10.1021/acs.jcim.5c02441/suppl_file/ci5c02441_si_002.xlsx) returned HTTP 403 on 2026-10-22. Archive member: ci5c02441_si_002.xlsx |
| Comparison: aggregation One value per workflow Context-only references | Herasymenko et al. 2026, CACHE Challenge #3, Supporting Information workbook ci5c02441_si_002.xlsx Sheet 'S8', row with Workflow = 1718 Version: ci5c02441_si_002.xlsx, member of the Europe PMC supplementary archive of PMC12892310 | not individually reviewed No individual claim review recorded author reported Audit detailsField: Source artifact SHA-256: Hash scope: artifact_sha256 is the SHA-256 of the member file ci5c02441_si_002.xlsx. The Europe PMC supplementaryFiles endpoint assembles a zip per request, so the archive's own hash is not stable; the member file's bytes are. The publisher's direct supplement URL (https://pubs.acs.org/doi/suppl/10.1021/acs.jcim.5c02441/suppl_file/ci5c02441_si_002.xlsx) returned HTTP 403 on 2026-10-22. Archive member: ci5c02441_si_002.xlsx |
| Comparison: budget Not reported Context-only references | Herasymenko et al. 2026, CACHE Challenge #3, Supporting Information workbook ci5c02441_si_002.xlsx Sheet 'S8', row with Workflow = 1718 Version: ci5c02441_si_002.xlsx, member of the Europe PMC supplementary archive of PMC12892310 | missing or unspecified No individual claim review recorded author reported Audit detailsField: Source artifact SHA-256: Hash scope: artifact_sha256 is the SHA-256 of the member file ci5c02441_si_002.xlsx. The Europe PMC supplementaryFiles endpoint assembles a zip per request, so the archive's own hash is not stable; the member file's bytes are. The publisher's direct supplement URL (https://pubs.acs.org/doi/suppl/10.1021/acs.jcim.5c02441/suppl_file/ci5c02441_si_002.xlsx) returned HTTP 403 on 2026-10-22. Archive member: ci5c02441_si_002.xlsx |
| Comparison: dataset version CACHE #3 Round 1, published 2026-01-21 Context-only references | Herasymenko et al. 2026, CACHE Challenge #3, Supporting Information workbook ci5c02441_si_002.xlsx Sheet 'S8', row with Workflow = 1718 Version: ci5c02441_si_002.xlsx, member of the Europe PMC supplementary archive of PMC12892310 | not individually reviewed No individual claim review recorded author reported Audit detailsField: Source artifact SHA-256: Hash scope: artifact_sha256 is the SHA-256 of the member file ci5c02441_si_002.xlsx. The Europe PMC supplementaryFiles endpoint assembles a zip per request, so the archive's own hash is not stable; the member file's bytes are. The publisher's direct supplement URL (https://pubs.acs.org/doi/suppl/10.1021/acs.jcim.5c02441/suppl_file/ci5c02441_si_002.xlsx) returned HTTP 403 on 2026-10-22. Archive member: ci5c02441_si_002.xlsx |
| Comparison: inputs The target and the commercial libraries for Round 1 selection; the merged list of all Round 1 compounds for the merged-library arm Context-only references | Herasymenko et al. 2026, CACHE Challenge #3, Supporting Information workbook ci5c02441_si_002.xlsx Sheet 'S8', row with Workflow = 1718 Version: ci5c02441_si_002.xlsx, member of the Europe PMC supplementary archive of PMC12892310 | not individually reviewed No individual claim review recorded author reported Audit detailsField: Source artifact SHA-256: Hash scope: artifact_sha256 is the SHA-256 of the member file ci5c02441_si_002.xlsx. The Europe PMC supplementaryFiles endpoint assembles a zip per request, so the archive's own hash is not stable; the member file's bytes are. The publisher's direct supplement URL (https://pubs.acs.org/doi/suppl/10.1021/acs.jcim.5c02441/suppl_file/ci5c02441_si_002.xlsx) returned HTTP 403 on 2026-10-22. Archive member: ci5c02441_si_002.xlsx |
| Comparison: metric implementation Counts of tested compounds and confirmed hits, and the challenge's activity, novelty and normalised scores Context-only references | Herasymenko et al. 2026, CACHE Challenge #3, Supporting Information workbook ci5c02441_si_002.xlsx Sheet 'S8', row with Workflow = 1718 Version: ci5c02441_si_002.xlsx, member of the Europe PMC supplementary archive of PMC12892310 | not individually reviewed No individual claim review recorded author reported Audit detailsField: Source artifact SHA-256: Hash scope: artifact_sha256 is the SHA-256 of the member file ci5c02441_si_002.xlsx. The Europe PMC supplementaryFiles endpoint assembles a zip per request, so the archive's own hash is not stable; the member file's bytes are. The publisher's direct supplement URL (https://pubs.acs.org/doi/suppl/10.1021/acs.jcim.5c02441/suppl_file/ci5c02441_si_002.xlsx) returned HTTP 403 on 2026-10-22. Archive member: ci5c02441_si_002.xlsx |
| Comparison: population All 1739 merged Round 1 compounds, the same library for every workflow Context-only references | Herasymenko et al. 2026, CACHE Challenge #3, Supporting Information workbook ci5c02441_si_002.xlsx Sheet 'S8', row with Workflow = 1718 Version: ci5c02441_si_002.xlsx, member of the Europe PMC supplementary archive of PMC12892310 | not individually reviewed No individual claim review recorded author reported Audit detailsField: Source artifact SHA-256: Hash scope: artifact_sha256 is the SHA-256 of the member file ci5c02441_si_002.xlsx. The Europe PMC supplementaryFiles endpoint assembles a zip per request, so the archive's own hash is not stable; the member file's bytes are. The publisher's direct supplement URL (https://pubs.acs.org/doi/suppl/10.1021/acs.jcim.5c02441/suppl_file/ci5c02441_si_002.xlsx) returned HTTP 403 on 2026-10-22. Archive member: ci5c02441_si_002.xlsx |
| Comparison: protocol id hitdisc-20261022-protocol-cache3-merged-library Context-only references | Herasymenko et al. 2026, CACHE Challenge #3, Supporting Information workbook ci5c02441_si_002.xlsx Sheet 'S8', row with Workflow = 1718 Version: ci5c02441_si_002.xlsx, member of the Europe PMC supplementary archive of PMC12892310 | not individually reviewed No individual claim review recorded author reported Audit detailsField: Source artifact SHA-256: Hash scope: artifact_sha256 is the SHA-256 of the member file ci5c02441_si_002.xlsx. The Europe PMC supplementaryFiles endpoint assembles a zip per request, so the archive's own hash is not stable; the member file's bytes are. The publisher's direct supplement URL (https://pubs.acs.org/doi/suppl/10.1021/acs.jcim.5c02441/suppl_file/ci5c02441_si_002.xlsx) returned HTTP 403 on 2026-10-22. Archive member: ci5c02441_si_002.xlsx |
| Comparison: split Whole Round 1 library; no training or test split applies Context-only references | Herasymenko et al. 2026, CACHE Challenge #3, Supporting Information workbook ci5c02441_si_002.xlsx Sheet 'S8', row with Workflow = 1718 Version: ci5c02441_si_002.xlsx, member of the Europe PMC supplementary archive of PMC12892310 | not individually reviewed No individual claim review recorded author reported Audit detailsField: Source artifact SHA-256: Hash scope: artifact_sha256 is the SHA-256 of the member file ci5c02441_si_002.xlsx. The Europe PMC supplementaryFiles endpoint assembles a zip per request, so the archive's own hash is not stable; the member file's bytes are. The publisher's direct supplement URL (https://pubs.acs.org/doi/suppl/10.1021/acs.jcim.5c02441/suppl_file/ci5c02441_si_002.xlsx) returned HTTP 403 on 2026-10-22. Archive member: ci5c02441_si_002.xlsx |
| Interpretation Blinded prospective challenge: predictions were submitted before any compound was synthesised or assayed. Context-only references | Herasymenko et al. 2026, CACHE Challenge #3, Supporting Information workbook ci5c02441_si_002.xlsx Sheet 'S8', row with Workflow = 1718 Version: ci5c02441_si_002.xlsx, member of the Europe PMC supplementary archive of PMC12892310 | not individually reviewed No individual claim review recorded author reported Audit detailsField: Source artifact SHA-256: Hash scope: artifact_sha256 is the SHA-256 of the member file ci5c02441_si_002.xlsx. The Europe PMC supplementaryFiles endpoint assembles a zip per request, so the archive's own hash is not stable; the member file's bytes are. The publisher's direct supplement URL (https://pubs.acs.org/doi/suppl/10.1021/acs.jcim.5c02441/suppl_file/ci5c02441_si_002.xlsx) returned HTTP 403 on 2026-10-22. Archive member: ci5c02441_si_002.xlsx |
Release 2026-10-22-1b7cf027e4f6 · Record review: source checked
Stable ID: hitdisc-20261022-eval-cache3-merged-library-wf1718