CACHE #3 carboxylic acid penalty in table S8
Reported finding of CACHE Challenge #3
Sheet 'S8' column K, 'Carboxylic acid penalty', carries a value for 1700=yes and is blank for every other workflow. Neither the sheet nor the article says whether a blank cell means no penalty or no entry, so the blanks are not recorded as a value. The article states that 15% of the Round 1 compounds still featured carboxylates despite this being an explicit condition of the challenge.
Record of the carboxylic acid penalty column of CACHE #3 table S8.
Evidence
Source checking verifies the cited claim or transcription. It does not establish independent reproduction.
Evidence table
Inspect claims, sources and review details
Trace each statement to its source and review. A context-only reference supports the record generally; it does not verify an individual field. Source checking does not reproduce an experiment.
One row per statement and cited source. Multiple citations are not independent evaluations. Shared locators are labelled explicitly.
6 evidence rows matching the loaded filters
| Property and statement | Original source and location | Review and provenance |
|---|---|---|
| Claimed field reported_finding Context-only references | Herasymenko et al. 2026, CACHE Challenge #3, Supporting Information workbook ci5c02441_si_002.xlsx Sheet 'S8', column K; article Results 'Trends and Strategies from the Best Performing Computational Workflows' Version: ci5c02441_si_002.xlsx, member of the Europe PMC supplementary archive of PMC12892310 | not individually reviewed No individual claim review recorded 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 |
| Source location Sheet 'S8', column K; article Results 'Trends and Strategies from the Best Performing Computational Workflows' Context-only references | Herasymenko et al. 2026, CACHE Challenge #3, Supporting Information workbook ci5c02441_si_002.xlsx Sheet 'S8', column K; article Results 'Trends and Strategies from the Best Performing Computational Workflows' Version: ci5c02441_si_002.xlsx, member of the Europe PMC supplementary archive of PMC12892310 | not individually reviewed No individual claim review recorded 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 |
| Claimed value Sheet 'S8' column K, 'Carboxylic acid penalty', carries a value for 1700=yes and is blank for every other workflow. Neither the sheet nor the article says whether a blank cell means no penalty or no entry, so the blanks are not recorded as a value. The article states that 15% of the Round 1 compounds still featured carboxylates despite this being an explicit condition of the challenge. Context-only references | Herasymenko et al. 2026, CACHE Challenge #3, Supporting Information workbook ci5c02441_si_002.xlsx Sheet 'S8', column K; article Results 'Trends and Strategies from the Best Performing Computational Workflows' Version: ci5c02441_si_002.xlsx, member of the Europe PMC supplementary archive of PMC12892310 | not individually reviewed No individual claim review recorded 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 |
| Description Record of the carboxylic acid penalty column of CACHE #3 table S8. Context-only references | Herasymenko et al. 2026, CACHE Challenge #3, Supporting Information workbook ci5c02441_si_002.xlsx Sheet 'S8', column K; article Results 'Trends and Strategies from the Best Performing Computational Workflows' Version: ci5c02441_si_002.xlsx, member of the Europe PMC supplementary archive of PMC12892310 | not individually reviewed No individual claim review recorded 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 |
| Relationship: subject hitdisc-20261022-benchmark-cache3 Context-only references | Herasymenko et al. 2026, CACHE Challenge #3, Supporting Information workbook ci5c02441_si_002.xlsx Sheet 'S8', column K; article Results 'Trends and Strategies from the Best Performing Computational Workflows' Version: ci5c02441_si_002.xlsx, member of the Europe PMC supplementary archive of PMC12892310 | not individually reviewed No individual claim review recorded 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 |
| Name CACHE #3 carboxylic acid penalty in table S8 Context-only references | Herasymenko et al. 2026, CACHE Challenge #3, Supporting Information workbook ci5c02441_si_002.xlsx Sheet 'S8', column K; article Results 'Trends and Strategies from the Best Performing Computational Workflows' Version: ci5c02441_si_002.xlsx, member of the Europe PMC supplementary archive of PMC12892310 | not individually reviewed No individual claim review recorded 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 |
Sources and history
Release 2026-10-22-1b7cf027e4f6 · Record review: source checked
1 source record and release history
- Herasymenko et al. 2026, CACHE Challenge #3, Supporting Information workbook ci5c02441_si_002.xlsx · Original source · ci5c02441_si_002.xlsx, member of the Europe PMC supplementary archive of PMC12892310
Technical metadata and extraction receipts
Stable ID: hitdisc-20261022-claim-cache3-carboxylic-acid-penalty
- areas
- molecular-interactions
- contexts
- research
- field
- reported_finding
- value
- Sheet 'S8' column K, 'Carboxylic acid penalty', carries a value for 1700=yes and is blank for every other workflow. Neither the sheet nor the article says whether a blank cell means no penalty or no entry, so the blanks are not recorded as a value. The article states that 15% of the Round 1 compounds still featured carboxylates despite this being an explicit condition of the challenge.
- source locator
- Sheet 'S8', column K; article Results 'Trends and Strategies from the Best Performing Computational Workflows'
- review
- method: scope-review; automated-source-review; reviewer: claude; reviewer note: Claude review agent, independent of the extraction agent; no human review claimed; date: 2026-10-22; method note: Read the record against the pinned sources and against docs/use-cases.md and docs/record-contract.md.; note: Claim checked against the pinned source. Every figure it states was matched to a result record in this batch.; artifact sha256: 5e655da5728da46c6a57882c5fef0643c057536d7897d16b9c98f6d55c12f5fe; retrieval url: https://www.ebi.ac.uk/europepmc/webservices/rest/PMC12892310/supplementaryFiles; receipt: data/omics/use-case-coverage-hitdisc-20261022/review.json
Related records
- subject: CACHE Challenge #3