LIT-PCBA official project page, drugdesign.unistra.fr
Page as retrieved 2026-10-22; no version is printed on the page · Project source
What this source contributed
Records in this release that cite this source. A record can cite several sources.
Claims
Statements this source supports, each with where in the source it was checked.
- Actives-to-decoys ratio and decoy construction differ by orders of magnitude between the screening benchmarks: Reported finding DEKOIS 2.0 holds 40 experimentally validated actives and 1200 property-matched decoys selected from ZINC per target, a ratio of 1:30. GPCRrecent holds BindingDB actives with decoys generated by a conditional recurrent neural network (TocoDecoy) at 1:50. LIT-PCBA's negatives are experimentally measured inactives, and its official per-target counts give ratios from 13 actives to 4,378 inactives (ESR_ago, about 1:337) and 88 to 3,820 (ESR_antago, about 1:43) up to 17 to 311,748 (ADRB2, about 1:18,000). DUD-E pairs each of 22,886 clustered ligands with 50 property-matched decoys. An enrichment factor is a ratio against random selection at a fixed fraction of the list, so it moves with both the ratio and the realism of the negatives; values from these benchmarks are not comparable with one another. (Shen et al. 2025 Methods 'Datasets' and 'Evaluation metrics'; LIT-PCBA official page data content table)
- LIT-PCBA dataset subsets: used_in retargeted from a dataset to the protocol: Links hitdisc-20261022-subset-litpcba-esr-ago: [{"relation": "used_in", "target_id": "hitdisc-20261022-protocol-shen-litpcba5"}] | hitdisc-20261022-subset-litpcba-esr-antago: [{"relation": "used_in", "target_id": "hitdisc-20261022-protocol-shen-litpcba5"}] | hitdisc-20261022-subset-litpcba-mapk1: [{"relation": "used_in", "target_id": "hitdisc-20261022-protocol-shen-litpcba5"}] | hitdisc-20261022-subset-litpcba-pparg: [{"relation": "used_in", "target_id": "hitdisc-20261022-protocol-shen-litpcba5"}] | hitdisc-20261022-subset-litpcba-tp53: [{"relation": "used_in", "target_id": "hitdisc-20261022-protocol-shen-litpcba5"}] (shared/omics/relations.ts, used_in)
- LIT-PCBA page source: totals-conflict concern now names both artifact hashes: Evidence concerns[0]: message 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 page data content table; Shen et al. 2025 Methods 'Datasets')
- Relevance of hitdisc-20261022-protocol-shen-litpcba5 to use-case-hit-discovery-virtual-screening: Assessed by LIT-PCBA five-target screening (Shen et al. 2025 Table 4) (hitdisc-20261022-protocol-shen-litpcba5: see its source_locator)
Models, benchmarks and other records
Benchmarks (1)
Datasets (2)
Dataset subsets (5)
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.
30 evidence rows matching the loaded filters
| Property and statement | Original source and location | Review and provenance |
|---|---|---|
| attributes.artifact_sha256 a2203612b553236d7f01da5573389d439d2f7aa0436080412f27da882e086e5e Source metadata | LIT-PCBA official project page, drugdesign.unistra.fr No field-specific location recorded Version: Page as retrieved 2026-10-22; no version is printed on the page | catalogued No individual claim review recorded Source has a recorded evidence concern. Consult its source page before using the claim. Audit detailsField: Source artifact SHA-256: 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. |
Evidence concerns1 values
| LIT-PCBA official project page, drugdesign.unistra.fr No field-specific location recorded Version: Page as retrieved 2026-10-22; no version is printed on the page | catalogued No individual claim review recorded Source has a recorded evidence concern. Consult its source page before using the claim. Audit detailsField: Source artifact SHA-256: 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. |
| 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 metadata | LIT-PCBA official project page, drugdesign.unistra.fr No field-specific location recorded Version: Page as retrieved 2026-10-22; no version is printed on the page | catalogued No individual claim review recorded Source has a recorded evidence concern. Consult its source page before using the claim. Audit detailsField: Source artifact SHA-256: 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. |
| Licence Not stated on the retrieved page Source metadata | LIT-PCBA official project page, drugdesign.unistra.fr No field-specific location recorded Version: Page as retrieved 2026-10-22; no version is printed on the page | catalogued No individual claim review recorded Source has a recorded evidence concern. Consult its source page before using the claim. Audit detailsField: Source artifact SHA-256: 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. |
| Media type text/html Source metadata | LIT-PCBA official project page, drugdesign.unistra.fr No field-specific location recorded Version: Page as retrieved 2026-10-22; no version is printed on the page | catalogued No individual claim review recorded Source has a recorded evidence concern. Consult its source page before using the claim. Audit detailsField: Source artifact SHA-256: 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. |
| Missing metadata: doi: note No DOI is printed for this artifact Source metadata | LIT-PCBA official project page, drugdesign.unistra.fr No field-specific location recorded Version: Page as retrieved 2026-10-22; no version is printed on the page | catalogued No individual claim review recorded Source has a recorded evidence concern. Consult its source page before using the claim. Audit detailsField: Source artifact SHA-256: 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. |
| Missing metadata: doi: reason unreported Source metadata | LIT-PCBA official project page, drugdesign.unistra.fr No field-specific location recorded Version: Page as retrieved 2026-10-22; no version is printed on the page | catalogued No individual claim review recorded Source has a recorded evidence concern. Consult its source page before using the claim. Audit detailsField: Source artifact SHA-256: 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. |
| Publication status official_project_source Source metadata | LIT-PCBA official project page, drugdesign.unistra.fr No field-specific location recorded Version: Page as retrieved 2026-10-22; no version is printed on the page | catalogued No individual claim review recorded Source has a recorded evidence concern. Consult its source page before using the claim. Audit detailsField: Source artifact SHA-256: 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. |
| Retrieval method HTTP GET with urllib, no authentication Source metadata | LIT-PCBA official project page, drugdesign.unistra.fr No field-specific location recorded Version: Page as retrieved 2026-10-22; no version is printed on the page | catalogued No individual claim review recorded Source has a recorded evidence concern. Consult its source page before using the claim. Audit detailsField: Source artifact SHA-256: 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. |
| Retrieved at 2026-10-22T12:01:54Z Source metadata | LIT-PCBA official project page, drugdesign.unistra.fr No field-specific location recorded Version: Page as retrieved 2026-10-22; no version is printed on the page | catalogued No individual claim review recorded Source has a recorded evidence concern. Consult its source page before using the claim. Audit detailsField: Source artifact SHA-256: 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. |
Sources and history
Release 2026-10-22-1b7cf027e4f6 · Record review: source checked
Official project page for the LIT-PCBA virtual-screening dataset, with its per-target active and inactive counts.
Technical metadata and extraction receipts
Stable ID: hitdisc-20261022-source-litpcba-page
- areas
- molecular-interactions
- contexts
- research
- url
- https://drugdesign.unistra.fr/LIT-PCBA/
- version
- Page as retrieved 2026-10-22; no version is printed on the page
- retrieved at
- 2026-10-22T12:01:54Z
- artifact sha256
- a2203612b553236d7f01da5573389d439d2f7aa0436080412f27da882e086e5e
- publication status
- official_project_source
- licence
- Not stated on the retrieved page
- source locator
- Data content table (AID, Set, Target, Ligands, Actives, Inactives, PDB templates)
- retrieval method
- HTTP GET with urllib, no authentication
- review
- method: source-hash-verification; 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 artifact and matched its SHA-256 against the source record.; note: Artifact re-downloaded on 2026-10-22 and its SHA-256 matched the pinned value. Content not re-published.; artifact sha256: a2203612b553236d7f01da5573389d439d2f7aa0436080412f27da882e086e5e; retrieval url: https://drugdesign.unistra.fr/LIT-PCBA/; receipt: data/omics/use-case-coverage-hitdisc-20261022/review.json
- missing metadata
- doi: reason: unreported; note: No DOI is printed for this artifact
- 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.
- media type
- text/html
- evidence concerns
- source id: hitdisc-20261022-source-litpcba-page; message: 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.; source locator: Official page data content table (artifact a2203612b553236d7f01da5573389d439d2f7aa0436080412f27da882e086e5e) against Shen et al. 2025 Methods 'Datasets' (artifact 11a4cee97057d9e72f9393024d22fdd169e3134f493367eee2f7869facf9ccf8); artifact sha256: a2203612b553236d7f01da5573389d439d2f7aa0436080412f27da882e086e5e; review date: 2026-10-22