Source

Chen et al. 2019, PLoS ONE 14:e0220113 (hidden bias in DUD-E, Europe PMC full text)

PMC6701836 (PLoS ONE 2019) · Peer-reviewed

DOI: 10.1371/journal.pone.0220113 Original source

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1 benchmark
1 evidence claim

Claims

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Hidden bias in DUD-E misleads deep-learning virtual screening: Reported finding Chen et al. 2019 report that convolutional neural network models trained on 3D structural images of protein-ligand complexes from DUD-E are subject to a hidden bias in that dataset, so their apparent ability to distinguish binding from non-binding ligands in structure-based virtual screening is misleading rather than a measure of molecular recognition. (Title; Abstract)

Models, benchmarks and other records

Benchmarks (1)

DUD-E (Directory of Useful Decoys, Enhanced)

Evidence

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Evidence table

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27 evidence rows matching the loaded filters

Claims, original sources and review scope · Release 2026-11-02-a7f03c9e55a5
Property and statement	Original source and location	Review and provenance
Artifact SHA-256 b845c78815bb0c4eabb3e05e65212b343269c91292fedf00fae9ac00c7840f09 Source metadata	Chen et al. 2019, PLoS ONE 14:e0220113 (hidden bias in DUD-E, Europe PMC full text) Original source ↗ No field-specific location recorded Version: PMC6701836 (PLoS ONE 2019) Retrieved: 2026-10-22T12:01:54Z	catalogued No individual claim review recorded Audit details Field: `attributes.artifact_sha256` Source artifact SHA-256: `b845c78815bb0c4eabb3e05e65212b343269c91292fedf00fae9ac00c7840f09` Hash scope: Hash scope not separately documented; inspect source record
Doi 10.1371/journal.pone.0220113 Source metadata	Chen et al. 2019, PLoS ONE 14:e0220113 (hidden bias in DUD-E, Europe PMC full text) Original source ↗ No field-specific location recorded Version: PMC6701836 (PLoS ONE 2019) Retrieved: 2026-10-22T12:01:54Z	catalogued No individual claim review recorded Audit details Field: `attributes.doi` Source artifact SHA-256: `b845c78815bb0c4eabb3e05e65212b343269c91292fedf00fae9ac00c7840f09` Hash scope: Hash scope not separately documented; inspect source record
Licence Creative Commons Attribution License (permissions statement in the retrieved XML) Source metadata	Chen et al. 2019, PLoS ONE 14:e0220113 (hidden bias in DUD-E, Europe PMC full text) Original source ↗ No field-specific location recorded Version: PMC6701836 (PLoS ONE 2019) Retrieved: 2026-10-22T12:01:54Z	catalogued No individual claim review recorded Audit details Field: `attributes.licence` Source artifact SHA-256: `b845c78815bb0c4eabb3e05e65212b343269c91292fedf00fae9ac00c7840f09` Hash scope: Hash scope not separately documented; inspect source record
Media type application/xml Source metadata	Chen et al. 2019, PLoS ONE 14:e0220113 (hidden bias in DUD-E, Europe PMC full text) Original source ↗ No field-specific location recorded Version: PMC6701836 (PLoS ONE 2019) Retrieved: 2026-10-22T12:01:54Z	catalogued No individual claim review recorded Audit details Field: `attributes.media_type` Source artifact SHA-256: `b845c78815bb0c4eabb3e05e65212b343269c91292fedf00fae9ac00c7840f09` Hash scope: Hash scope not separately documented; inspect source record
Publication status peer_reviewed Source metadata	Chen et al. 2019, PLoS ONE 14:e0220113 (hidden bias in DUD-E, Europe PMC full text) Original source ↗ No field-specific location recorded Version: PMC6701836 (PLoS ONE 2019) Retrieved: 2026-10-22T12:01:54Z	catalogued No individual claim review recorded Audit details Field: `attributes.publication_status` Source artifact SHA-256: `b845c78815bb0c4eabb3e05e65212b343269c91292fedf00fae9ac00c7840f09` Hash scope: Hash scope not separately documented; inspect source record
Retrieval method HTTP GET with urllib, no authentication Source metadata	Chen et al. 2019, PLoS ONE 14:e0220113 (hidden bias in DUD-E, Europe PMC full text) Original source ↗ No field-specific location recorded Version: PMC6701836 (PLoS ONE 2019) Retrieved: 2026-10-22T12:01:54Z	catalogued No individual claim review recorded Audit details Field: `attributes.retrieval_method` Source artifact SHA-256: `b845c78815bb0c4eabb3e05e65212b343269c91292fedf00fae9ac00c7840f09` Hash scope: Hash scope not separately documented; inspect source record
Retrieved at 2026-10-22T12:01:54Z Source metadata	Chen et al. 2019, PLoS ONE 14:e0220113 (hidden bias in DUD-E, Europe PMC full text) Original source ↗ No field-specific location recorded Version: PMC6701836 (PLoS ONE 2019) Retrieved: 2026-10-22T12:01:54Z	catalogued No individual claim review recorded Audit details Field: `attributes.retrieved_at` Source artifact SHA-256: `b845c78815bb0c4eabb3e05e65212b343269c91292fedf00fae9ac00c7840f09` Hash scope: Hash scope not separately documented; inspect source record
Review: artifact sha256 b845c78815bb0c4eabb3e05e65212b343269c91292fedf00fae9ac00c7840f09 Source metadata	Chen et al. 2019, PLoS ONE 14:e0220113 (hidden bias in DUD-E, Europe PMC full text) Original source ↗ No field-specific location recorded Version: PMC6701836 (PLoS ONE 2019) Retrieved: 2026-10-22T12:01:54Z	catalogued No individual claim review recorded Audit details Field: `attributes.review.artifact_sha256` Source artifact SHA-256: `b845c78815bb0c4eabb3e05e65212b343269c91292fedf00fae9ac00c7840f09` Hash scope: Hash scope not separately documented; inspect source record
Review: date 2026-10-22 Source metadata	Chen et al. 2019, PLoS ONE 14:e0220113 (hidden bias in DUD-E, Europe PMC full text) Original source ↗ No field-specific location recorded Version: PMC6701836 (PLoS ONE 2019) Retrieved: 2026-10-22T12:01:54Z	catalogued No individual claim review recorded Audit details Field: `attributes.review.date` Source artifact SHA-256: `b845c78815bb0c4eabb3e05e65212b343269c91292fedf00fae9ac00c7840f09` Hash scope: Hash scope not separately documented; inspect source record
Review: method note Re-downloaded the artifact and matched its SHA-256 against the source record. Source metadata	Chen et al. 2019, PLoS ONE 14:e0220113 (hidden bias in DUD-E, Europe PMC full text) Original source ↗ No field-specific location recorded Version: PMC6701836 (PLoS ONE 2019) Retrieved: 2026-10-22T12:01:54Z	catalogued No individual claim review recorded Audit details Field: `attributes.review.method_note` Source artifact SHA-256: `b845c78815bb0c4eabb3e05e65212b343269c91292fedf00fae9ac00c7840f09` Hash scope: Hash scope not separately documented; inspect source record

How to read the evidence

Sources and history

Release 2026-11-02-a7f03c9e55a5 · Record review: source checked

Primary source for the finding that deep-learning virtual-screening performance on DUD-E is driven by decoy artefacts (rewire-benchmark-data #177).

Release history

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Technical metadata and extraction receipts

Stable ID: hitdisc-20261022-source-chen2019

areas: molecular-interactions
contexts: research
url: https://www.ebi.ac.uk/europepmc/webservices/rest/PMC6701836/fullTextXML
version: PMC6701836 (PLoS ONE 2019)
retrieved at: 2026-10-22T12:01:54Z
artifact sha256: b845c78815bb0c4eabb3e05e65212b343269c91292fedf00fae9ac00c7840f09
publication status: peer_reviewed
licence: Creative Commons Attribution License (permissions statement in the retrieved XML)
source locator: Abstract
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: b845c78815bb0c4eabb3e05e65212b343269c91292fedf00fae9ac00c7840f09; retrieval url: https://www.ebi.ac.uk/europepmc/webservices/rest/PMC6701836/fullTextXML; receipt: data/omics/use-case-coverage-hitdisc-20261022/review.json
doi: 10.1371/journal.pone.0220113
media type: application/xml

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