Public FEP benchmark composition: Merck sets56
Composition:merck-sets56 of Public binding free energy benchmark (Ross et al. 2023)
CDK8, cMet, Eg5, HIF-2α, PFKFB3, SHP-2, SYK, TNKS2; 264 compounds
Composition of one data set inside the assembled public FEP benchmark, as printed by the source.
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 composition:merck-sets56 Context-only references | The maximal and current accuracy of rigorous protein-ligand binding free energy calculations Table 2, row "Merck sets56" Version: Communications Chemistry 6:222 (2023); Europe PMC full-text XML snapshot PMC10576784 | not individually reviewed No individual claim review recorded Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| Source location Table 2, row "Merck sets56" Context-only references | The maximal and current accuracy of rigorous protein-ligand binding free energy calculations Table 2, row "Merck sets56" Version: Communications Chemistry 6:222 (2023); Europe PMC full-text XML snapshot PMC10576784 | not individually reviewed No individual claim review recorded Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| Claimed value CDK8, cMet, Eg5, HIF-2α, PFKFB3, SHP-2, SYK, TNKS2; 264 compounds Context-only references | The maximal and current accuracy of rigorous protein-ligand binding free energy calculations Table 2, row "Merck sets56" Version: Communications Chemistry 6:222 (2023); Europe PMC full-text XML snapshot PMC10576784 | not individually reviewed No individual claim review recorded Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| Description Composition of one data set inside the assembled public FEP benchmark, as printed by the source. Context-only references | The maximal and current accuracy of rigorous protein-ligand binding free energy calculations Table 2, row "Merck sets56" Version: Communications Chemistry 6:222 (2023); Europe PMC full-text XML snapshot PMC10576784 | not individually reviewed No individual claim review recorded Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| Relationship: subject uc-leadopt-20261022-benchmark-fep-public Context-only references | The maximal and current accuracy of rigorous protein-ligand binding free energy calculations Table 2, row "Merck sets56" Version: Communications Chemistry 6:222 (2023); Europe PMC full-text XML snapshot PMC10576784 | not individually reviewed No individual claim review recorded Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| Name Public FEP benchmark composition: Merck sets56 Context-only references | The maximal and current accuracy of rigorous protein-ligand binding free energy calculations Table 2, row "Merck sets56" Version: Communications Chemistry 6:222 (2023); Europe PMC full-text XML snapshot PMC10576784 | not individually reviewed No individual claim review recorded Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
Sources and history
Release 2026-10-22-1b7cf027e4f6 · Record review: source checked
1 source record and release history
- The maximal and current accuracy of rigorous protein-ligand binding free energy calculations · Original source · Communications Chemistry 6:222 (2023); Europe PMC full-text XML snapshot PMC10576784
Technical metadata and extraction receipts
Stable ID: uc-leadopt-20261022-claim-ross-t2-merck-sets56
- field
- composition:merck-sets56
- value
- CDK8, cMet, Eg5, HIF-2α, PFKFB3, SHP-2, SYK, TNKS2; 264 compounds
- source locator
- Table 2, row "Merck sets56"
- review
- method: source-hash-verification; pdf-text-parse; independent-cell-check; rendered-source-visual-check; ai-assisted-source-review; method note: Re-retrieved all three sources and matched each pinned SHA-256. Re-rendered the Boltz-2 supplement with pdftotext -layout (poppler 26.08.0) and matched the text layer's recorded SHA-256. Re-read all 256 cells with a parser written for this review that does not import the extraction script, matching each result to its cell through its own source_locator, and separately read appendix tables 11, 12 and 14 from PNG renderings of PDF pages 29 and 30 at 160 dpi, and Ross Table 3 from the pinned XML markup. Checked printed value, numeric value, locator, metric concept, qualifier, direction, unit, uncertainty and the linked configuration, protocol and dataset, and that every N/A or '-' cell is recorded as missing with a reason.; reviewer: claude; reviewer note: Claude review agent, independent of the extraction agent; no human review claimed; reviewed at: 2026-10-22T13:40:00Z; artifact sha256: f371d2e373306588d11b695b8de21b253a90293d6a15884f635bcf927bdebb1d; retrieval url: https://www.ebi.ac.uk/europepmc/webservices/rest/PMC10576784/fullTextXML; note: Independent review 2026-10-22: the quoted wording was matched against the pinned artifact and the locator checked.