Published result; transcribed, not reproduced.
1 evaluation · 7 results. Different protocols are not a single leaderboard.
Protocol: CACHE #3 Round 1 own-selection outcome per workflow (Herasymenko et al. 2026 Table S8) · Dataset: CACHE #3 Round 1 compound library
Sorted by Cache challenge activity score (Activity score of the workflow's best confirmed Round 1 hit that was judged chemically novel) (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 activity score (Activity score of the workflow's best confirmed Round 1 hit that was judged chemically novel) | Cache challenge activity score (Activity score of the workflow's best confirmed Round 1 hit) | Cache challenge activity score (Sum of the activity scores of all the workflow's confirmed Round 1 hits) | Cache challenge novelty score (Highest chemical novelty score among the workflow's confirmed Round 1 hits) | Count (Compounds the workflow selected that were synthesised and experimentally tested) | Count (Confirmed hits the Hit Evaluation Committee judged chemically novel, among the compounds the workflow selected) | Count (Experimentally confirmed hits among the compounds the workflow selected) |
|---|---|---|---|---|---|---|---|
| CACHE #3 workflow WF1716Evaluation | 18.1 | 18.1 | 18.1 | 2 | 51 | 1 | 1 |
Applied filters: All linked evaluations
| Tested configuration | Protocol and dataset | Finding | Evidence and details |
|---|---|---|---|
| Configuration: CACHE #3 workflow WF1716 | Protocol: CACHE #3 Round 1 own-selection outcome per workflow (Herasymenko et al. 2026 Table S8) Dataset: CACHE #3 Round 1 compound library | 51 Count (Compounds the workflow selected that were synthesised and experimentally tested) count · 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 sourceCACHE #3 workflow WF1716: own selection outcome hitdisc-20261022-protocol-cache3-own-selection Aggregation: Not reported Herasymenko et al. 2026, CACHE Challenge #3, Supporting Information workbook ci5c02441_si_002.xlsx · Sheet 'S8', row with Workflow = 1716, column D ('Compounds tested') |
| Configuration: CACHE #3 workflow WF1716 | Protocol: CACHE #3 Round 1 own-selection outcome per workflow (Herasymenko et al. 2026 Table S8) Dataset: CACHE #3 Round 1 compound library | 1 Count (Experimentally confirmed hits among the compounds the workflow selected) count · 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 sourceCACHE #3 workflow WF1716: own selection outcome hitdisc-20261022-protocol-cache3-own-selection Aggregation: Not reported Herasymenko et al. 2026, CACHE Challenge #3, Supporting Information workbook ci5c02441_si_002.xlsx · Sheet 'S8', row with Workflow = 1716, column E ('Hits') |
| Configuration: CACHE #3 workflow WF1716 | Protocol: CACHE #3 Round 1 own-selection outcome per workflow (Herasymenko et al. 2026 Table S8) Dataset: CACHE #3 Round 1 compound library | 1 Count (Confirmed hits the Hit Evaluation Committee judged chemically novel, among the compounds the workflow selected) count · 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 sourceCACHE #3 workflow WF1716: own selection outcome hitdisc-20261022-protocol-cache3-own-selection Aggregation: Not reported Herasymenko et al. 2026, CACHE Challenge #3, Supporting Information workbook ci5c02441_si_002.xlsx · Sheet 'S8', row with Workflow = 1716, column F ('Chemically Novel Hits') |
| Configuration: CACHE #3 workflow WF1716 | Protocol: CACHE #3 Round 1 own-selection outcome per workflow (Herasymenko et al. 2026 Table S8) Dataset: CACHE #3 Round 1 compound library | 18.1 Cache challenge activity score (Activity score of the workflow's best confirmed Round 1 hit) 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 sourceCACHE #3 workflow WF1716: own selection outcome hitdisc-20261022-protocol-cache3-own-selection Aggregation: Not reported Herasymenko et al. 2026, CACHE Challenge #3, Supporting Information workbook ci5c02441_si_002.xlsx · Sheet 'S8', row with Workflow = 1716, column G ('Score of best hit') |
| Configuration: CACHE #3 workflow WF1716 | Protocol: CACHE #3 Round 1 own-selection outcome per workflow (Herasymenko et al. 2026 Table S8) Dataset: CACHE #3 Round 1 compound library | 18.1 Cache challenge activity score (Sum of the activity scores of all the workflow's confirmed Round 1 hits) 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 sourceCACHE #3 workflow WF1716: own selection outcome hitdisc-20261022-protocol-cache3-own-selection Aggregation: Not reported Herasymenko et al. 2026, CACHE Challenge #3, Supporting Information workbook ci5c02441_si_002.xlsx · Sheet 'S8', row with Workflow = 1716, column H ('Aggregated score') |
| Configuration: CACHE #3 workflow WF1716 | Protocol: CACHE #3 Round 1 own-selection outcome per workflow (Herasymenko et al. 2026 Table S8) Dataset: CACHE #3 Round 1 compound library | 2 Cache challenge novelty score (Highest chemical novelty score among the workflow's confirmed Round 1 hits) 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 sourceCACHE #3 workflow WF1716: own selection outcome hitdisc-20261022-protocol-cache3-own-selection Aggregation: Not reported Herasymenko et al. 2026, CACHE Challenge #3, Supporting Information workbook ci5c02441_si_002.xlsx · Sheet 'S8', row with Workflow = 1716, column I ('Top novelty score') |
| Configuration: CACHE #3 workflow WF1716 | Protocol: CACHE #3 Round 1 own-selection outcome per workflow (Herasymenko et al. 2026 Table S8) Dataset: CACHE #3 Round 1 compound library | 18.1 Cache challenge activity score (Activity score of the workflow's best confirmed Round 1 hit that was judged chemically novel) 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 sourceCACHE #3 workflow WF1716: own selection outcome hitdisc-20261022-protocol-cache3-own-selection Aggregation: Not reported Herasymenko et al. 2026, CACHE Challenge #3, Supporting Information workbook ci5c02441_si_002.xlsx · Sheet 'S8', row with Workflow = 1716, column J ('Top score of novel hits') |
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
Exact outcomes, predictions, identifiers and evaluator are connected.
Missing or unresolved evidence
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Missing or unresolved evidence
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A pinned recipe describes the inputs, environment and resource requirements.
Missing or unresolved evidence
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Separate data and exposure records support an independent test.
Missing or unresolved evidence
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No verified artifact manifest is connected to this record yet. The gaps above identify what is needed before analysis can begin.
CACHE #3 Round 1 own-selection outcome 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 = 1716 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 = 1716 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 = 1716 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 = 1716 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 = 1716 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 = 1716 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 The up-to-100 compounds this workflow selected, which Enamine synthesised and the organisers assayed Context-only references | Herasymenko et al. 2026, CACHE Challenge #3, Supporting Information workbook ci5c02441_si_002.xlsx Sheet 'S8', row with Workflow = 1716 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-own-selection Context-only references | Herasymenko et al. 2026, CACHE Challenge #3, Supporting Information workbook ci5c02441_si_002.xlsx Sheet 'S8', row with Workflow = 1716 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 = 1716 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 = 1716 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-own-selection-wf1716