Result

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.) of CACHE #3 workflow WF1718 on CACHE #3 Round 1 compound library

36.6 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.)

Methods

Tested configuration: CACHE #3 workflow WF1718
Protocol: CACHE #3 merged Round 1 library prediction per workflow (Herasymenko et al. 2026 Table S8)
Dataset: CACHE #3 Round 1 compound library
Procedure: CACHE #3 merged Round 1 library prediction per workflow (Herasymenko et al. 2026 Table S8)
Evaluation: CACHE #3 workflow WF1718: merged library outcome
Coverage: Not reported scored / Not reported eligible
Uncertainty: Not reported by the source: The source prints no interval or spread for this value
Evidence: Author-reported evaluation · source checkedHerasymenko et al. 2026, CACHE Challenge #3, Supporting Information workbook ci5c02441_si_002.xlsx · Sheet 'S8', row with Workflow = 1718, column S ('Normalized tier 2 hits predicted active')

A source-checked result verifies the numerical transcription, not every model or protocol detail. Evaluation metadata: source checked. Source checked does not mean independently reproduced.

Reproduction

Split: Whole Round 1 library; no training or test split applies
Adaptation: Each team's own workflow, submitted before any experimental result was known
Scoring implementation: Counts of tested compounds and confirmed hits, and the challenge's activity, novelty and normalised scores

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.

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.

1 evidence row matching the loaded filters

Claims, original sources and review scope · Release 2026-10-22-1b7cf027e4f6
Property and statement	Original source and location	Review and provenance
Reported result 36.64921465968586 Individual claims	Herasymenko et al. 2026, CACHE Challenge #3, Supporting Information workbook ci5c02441_si_002.xlsx Original source ↗ Sheet 'S8', row with Workflow = 1718, column S ('Normalized tier 2 hits predicted active') Version: ci5c02441_si_002.xlsx, member of the Europe PMC supplementary archive of PMC12892310 Retrieved: 2026-10-22T11:55:00Z	source checked ["independent-cell-check","deterministic-table-parse"] · 2026-10-22 author reported Audit details Checked against the pinned source by an automated independent re-parse. Transcription checked; not reproduced and not reviewed by a human scientist. Field: `attributes.printed_value` Source artifact SHA-256: `5e655da5728da46c6a57882c5fef0643c057536d7897d16b9c98f6d55c12f5fe` 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 Extraction artifact SHA-256: `5e655da5728da46c6a57882c5fef0643c057536d7897d16b9c98f6d55c12f5fe` Extraction artifact

How to read the evidence

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

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Technical metadata and extraction receipts

Stable ID: hitdisc-20261022-result-cache3-merged-library-wf1718-s

metric: cache-challenge-normalized-hit-score
metric direction: higher
unit: unitless
metric qualifier: 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.
printed value: 36.64921465968586
numeric value: 36.64921465968586
source locator: Sheet 'S8', row with Workflow = 1718, column S ('Normalized tier 2 hits predicted active')
missing metadata: uncertainty: reason: unreported; note: The source prints no interval or spread for this value
review: method: independent-cell-check; deterministic-table-parse; reviewer: claude; reviewer note: Claude review agent, independent of the extraction agent; no human review claimed; date: 2026-10-22; method note: Re-downloaded the Europe PMC supplementary archive, matched the SHA-256 of the member file ci5c02441_si_002.xlsx, and re-parsed sheet S8 from xl/worksheets/sheet9.xml and xl/sharedStrings.xml with a parser written for this review (myparse_xlsx.py), independent of the extractor's. Compared every cell's round-tripped decimal, stored string and column header, and read the stored cell formulas.; note: Checked against the pinned source by an automated independent re-parse. Transcription checked; not reproduced and not reviewed by a human scientist.; 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
source table: Table S8
raw xml value: 36.64921465968586
printed value basis: The workbook stores this cell as a double. printed_value is the shortest decimal that round-trips to that double, which is what a spreadsheet shows; raw_xml_value keeps the stored string.
workbook number format: Not applied: the cell's number format was not read, so printed_value is the round-tripped decimal rather than the displayed string.
source warnings: The stored cell is a formula, not a transcribed number: column R is 1000*N/L, column S is 1000*O/L and column T is R+S, so the value is confirmed Tier 1 or Tier 2 hits per 1000 compounds predicted active. That is the article's own hit-rate form scaled by 1000. The Figure 6c caption instead defines the normalised number as 'the aggregated score of all compounds predicted active divided by the number of compounds predicted to be actives', which does not describe this formula: the numerator is a count of confirmed tier hits, not an aggregated score, and the caption omits the factor of 1000. Read the formula, not the caption, and do not compare this value with a hit rate that has a different denominator or no scaling.

Related records

evaluation: CACHE #3 workflow WF1718: merged library outcome

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