Dataset

LIT-PCBA full dataset, 15 target sets

Evidence concern: excluded from comparisons

The official page (data content table, artifact a2203612b553236d7f01da5573389d439d2f7aa0436080412f27da882e086e5e) gives 7761 actives and 382674 unique inactives for the 15 LIT-PCBA target sets, while Shen et al. 2025 (Methods 'Datasets', artifact 11a4cee97057d9e72f9393024d22fdd169e3134f493367eee2f7869facf9ccf8) state 10030 confirmed actives and 2798737 confirmed inactives for the full set. The two counts are not reconciled by either source; the difference is most likely unique against per-target inactives, but neither source says so. EF and NEF both depend on this ratio, so the conflict is left unresolved and marked rather than reconciled.LIT-PCBA official project page, drugdesign.unistra.fr · Official page data content table (artifact a2203612b553236d7f01da5573389d439d2f7aa0436080412f27da882e086e5e) against Shen et al. 2025 Methods 'Datasets' (artifact 11a4cee97057d9e72f9393024d22fdd169e3134f493367eee2f7869facf9ccf8)

All 15 LIT-PCBA target sets with their experimentally measured actives and inactives from PubChem BioAssay dose-response data.

No reviewed evaluations of this dataset are linked in this release.

Research readiness

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.

Readiness checks, gaps and artifacts

Release 2026-10-22-1b7cf027e4f6 · Evidence verified: Not verified

Evidence incomplete

Replay metrics

Exact outcomes, predictions, identifiers and evaluator are connected.

Missing or unresolved evidence

No verified artifact manifest is linked to this exact record.
File checksums match the recorded files: not yet verified
Predictions are matched to the right samples: not yet verified
Score meaning and direction are confirmed: not yet verified
Metrics are recomputed from the saved predictions: not yet verified

Verified: Not verified

Evidence incomplete

Investigate discrepancies

Replay evidence includes annotations and an assessment of dependence. Unknown independence permits descriptive analysis only.

Missing or unresolved evidence

No verified artifact manifest is linked to this exact record.
File checksums match the recorded files: not yet verified
Predictions are matched to the right samples: not yet verified
Score meaning and direction are confirmed: not yet verified
Metrics are recomputed from the saved predictions: not yet verified
Sample annotations are recorded: not yet verified
Dependence between samples is assessed: not yet verified

Verified: Not verified

Evidence incomplete

Run locally

A pinned recipe describes the inputs, environment and resource requirements.

Missing or unresolved evidence

No verified artifact manifest is linked to this exact record.
File checksums match the recorded files: not yet verified
Predictions are matched to the right samples: not yet verified
Score meaning and direction are confirmed: not yet verified
A pinned run recipe exists: not yet verified
Compute requirements are estimated: not yet verified

Verified: Not verified

Evidence incomplete

Validate independently

Separate data and exposure records support an independent test.

Missing or unresolved evidence

No verified artifact manifest is linked to this exact record.
File checksums match the recorded files: not yet verified
Predictions are matched to the right samples: not yet verified
Score meaning and direction are confirmed: not yet verified
Independent validation data exist: not yet verified
Overlap with training data is checked: not yet verified

Verified: Not verified

Readiness describes the evidence in this release. Availability on your computer is checked separately when an investigation runs. Existing data exposure can prevent independent validation even when files are available.

Artifacts and reproduction

No verified artifact manifest is connected to this record yet. The gaps above identify what is needed before analysis can begin.

Dataset and evaluation context

A dataset supplies biological observations. The evaluation protocol defines how those observations are split, used and scored.

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.

11 evidence rows 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
Access Open download from https://drugdesign.unistra.fr/LIT-PCBA/ Context-only references	LIT-PCBA official project page, drugdesign.unistra.fr Original source ↗ Data content table Version: Page as retrieved 2026-10-22; no version is printed on the page Retrieved: 2026-10-22T12:01:54Z	not individually reviewed No individual claim review recorded Source has a recorded evidence concern. Consult its source page before using the claim. Audit details Field: `attributes.access` Source artifact SHA-256: `a2203612b553236d7f01da5573389d439d2f7aa0436080412f27da882e086e5e` Hash scope: This is a mutable web page: artifact_sha256 describes the single retrieval of 2026-10-22T12:01:54Z and a later change to the page would change it.
Label semantics Positive and negative labels both come from high-confidence PubChem BioAssay dose-response measurements; the inactives are assayed, not synthetic decoys. Context-only references	LIT-PCBA official project page, drugdesign.unistra.fr Original source ↗ Data content table Version: Page as retrieved 2026-10-22; no version is printed on the page Retrieved: 2026-10-22T12:01:54Z	not individually reviewed No individual claim review recorded Source has a recorded evidence concern. Consult its source page before using the claim. Audit details Field: `attributes.label_semantics` Source artifact SHA-256: `a2203612b553236d7f01da5573389d439d2f7aa0436080412f27da882e086e5e` Hash scope: This is a mutable web page: artifact_sha256 describes the single retrieval of 2026-10-22T12:01:54Z and a later change to the page would change it.
Negatives 382674 Context-only references	LIT-PCBA official project page, drugdesign.unistra.fr Original source ↗ Data content table Version: Page as retrieved 2026-10-22; no version is printed on the page Retrieved: 2026-10-22T12:01:54Z	not individually reviewed No individual claim review recorded Source has a recorded evidence concern. Consult its source page before using the claim. Audit details Field: `attributes.negatives` Source artifact SHA-256: `a2203612b553236d7f01da5573389d439d2f7aa0436080412f27da882e086e5e` Hash scope: This is a mutable web page: artifact_sha256 describes the single retrieval of 2026-10-22T12:01:54Z and a later change to the page would change it.
Population 15 target sets; 7761 actives and 382674 unique inactives on the official page Context-only references	LIT-PCBA official project page, drugdesign.unistra.fr Original source ↗ Data content table Version: Page as retrieved 2026-10-22; no version is printed on the page Retrieved: 2026-10-22T12:01:54Z	not individually reviewed No individual claim review recorded Source has a recorded evidence concern. Consult its source page before using the claim. Audit details Field: `attributes.population` Source artifact SHA-256: `a2203612b553236d7f01da5573389d439d2f7aa0436080412f27da882e086e5e` Hash scope: This is a mutable web page: artifact_sha256 describes the single retrieval of 2026-10-22T12:01:54Z and a later change to the page would change it.
Positives 7761 Context-only references	LIT-PCBA official project page, drugdesign.unistra.fr Original source ↗ Data content table Version: Page as retrieved 2026-10-22; no version is printed on the page Retrieved: 2026-10-22T12:01:54Z	not individually reviewed No individual claim review recorded Source has a recorded evidence concern. Consult its source page before using the claim. Audit details Field: `attributes.positives` Source artifact SHA-256: `a2203612b553236d7f01da5573389d439d2f7aa0436080412f27da882e086e5e` Hash scope: This is a mutable web page: artifact_sha256 describes the single retrieval of 2026-10-22T12:01:54Z and a later change to the page would change it.
Source location Data content table Context-only references	LIT-PCBA official project page, drugdesign.unistra.fr Original source ↗ Data content table Version: Page as retrieved 2026-10-22; no version is printed on the page Retrieved: 2026-10-22T12:01:54Z	not individually reviewed No individual claim review recorded Source has a recorded evidence concern. Consult its source page before using the claim. Audit details Field: `attributes.source_locator` Source artifact SHA-256: `a2203612b553236d7f01da5573389d439d2f7aa0436080412f27da882e086e5e` Hash scope: This is a mutable web page: artifact_sha256 describes the single retrieval of 2026-10-22T12:01:54Z and a later change to the page would change it.
Split Full data; an AVE-unbiased split is published separately Context-only references	LIT-PCBA official project page, drugdesign.unistra.fr Original source ↗ Data content table Version: Page as retrieved 2026-10-22; no version is printed on the page Retrieved: 2026-10-22T12:01:54Z	not individually reviewed No individual claim review recorded Source has a recorded evidence concern. Consult its source page before using the claim. Audit details Field: `attributes.split` Source artifact SHA-256: `a2203612b553236d7f01da5573389d439d2f7aa0436080412f27da882e086e5e` Hash scope: This is a mutable web page: artifact_sha256 describes the single retrieval of 2026-10-22T12:01:54Z and a later change to the page would change it.
Total targets 15 Context-only references	LIT-PCBA official project page, drugdesign.unistra.fr Original source ↗ Data content table Version: Page as retrieved 2026-10-22; no version is printed on the page Retrieved: 2026-10-22T12:01:54Z	not individually reviewed No individual claim review recorded Source has a recorded evidence concern. Consult its source page before using the claim. Audit details Field: `attributes.total_targets` Source artifact SHA-256: `a2203612b553236d7f01da5573389d439d2f7aa0436080412f27da882e086e5e` Hash scope: This is a mutable web page: artifact_sha256 describes the single retrieval of 2026-10-22T12:01:54Z and a later change to the page would change it.
Version Full data as linked from the official page on 2026-10-22; no version string is printed Context-only references	LIT-PCBA official project page, drugdesign.unistra.fr Original source ↗ Data content table Version: Page as retrieved 2026-10-22; no version is printed on the page Retrieved: 2026-10-22T12:01:54Z	not individually reviewed No individual claim review recorded Source has a recorded evidence concern. Consult its source page before using the claim. Audit details Field: `attributes.version` Source artifact SHA-256: `a2203612b553236d7f01da5573389d439d2f7aa0436080412f27da882e086e5e` Hash scope: This is a mutable web page: artifact_sha256 describes the single retrieval of 2026-10-22T12:01:54Z and a later change to the page would change it.
Description All 15 LIT-PCBA target sets with their experimentally measured actives and inactives from PubChem BioAssay dose-response data. Context-only references	LIT-PCBA official project page, drugdesign.unistra.fr Original source ↗ Data content table Version: Page as retrieved 2026-10-22; no version is printed on the page Retrieved: 2026-10-22T12:01:54Z	not individually reviewed No individual claim review recorded Source has a recorded evidence concern. Consult its source page before using the claim. Audit details Field: `description` Source artifact SHA-256: `a2203612b553236d7f01da5573389d439d2f7aa0436080412f27da882e086e5e` Hash scope: This is a mutable web page: artifact_sha256 describes the single retrieval of 2026-10-22T12:01:54Z and a later change to the page would change it.

How to read the evidence

Sources and history

Release 2026-10-22-1b7cf027e4f6 · Record review: source checked

1 source record and release history

LIT-PCBA official project page, drugdesign.unistra.fr · Original source · Page as retrieved 2026-10-22; no version is printed on the page

Download this release (gzip)

Technical metadata and extraction receipts

Stable ID: hitdisc-20261022-dataset-litpcba-full

areas: molecular-interactions
contexts: research
version: Full data as linked from the official page on 2026-10-22; no version string is printed
split: Full data; an AVE-unbiased split is published separately
population: 15 target sets; 7761 actives and 382674 unique inactives on the official page
label semantics: Positive and negative labels both come from high-confidence PubChem BioAssay dose-response measurements; the inactives are assayed, not synthetic decoys.
positives: 7761
negatives: 382674
total targets: 15
access: Open download from https://drugdesign.unistra.fr/LIT-PCBA/
source locator: Data content table
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: Record checked against the pinned source and the record contract. Transcription checked; not reproduced and not reviewed by a human scientist.; artifact sha256: a2203612b553236d7f01da5573389d439d2f7aa0436080412f27da882e086e5e; retrieval url: https://drugdesign.unistra.fr/LIT-PCBA/; receipt: data/omics/use-case-coverage-hitdisc-20261022/review.json

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