Source

Mysinger et al. 2012, J Med Chem 55:6582 (DUD-E, Europe PMC full text)

PMC3405771 (J Med Chem 2012) · Peer-reviewed

DOI: 10.1021/jm300687e Original source

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1 benchmark
1 evidence claim

Claims

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DUD-E composition and decoy construction: Reported finding Mysinger et al. 2012 describe DUD-E as 102 proteins with 22,886 clustered ligands drawn from ChEMBL, each ligand accompanied by 50 property-matched decoys, with more diverse targets than the original DUD including GPCRs and ion channels. The decoys are selected to match the ligands on physical properties while being topologically dissimilar to them, so they are synthetic negatives rather than assayed inactives. (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 8f20c3adec704671ea668742622567a7c6aec9b38f6d804f977c175209fa500d Source metadata	Mysinger et al. 2012, J Med Chem 55:6582 (DUD-E, Europe PMC full text) Original source ↗ No field-specific location recorded Version: PMC3405771 (J Med Chem 2012) Retrieved: 2026-10-22T12:01:54Z	catalogued No individual claim review recorded Audit details Field: `attributes.artifact_sha256` Source artifact SHA-256: `8f20c3adec704671ea668742622567a7c6aec9b38f6d804f977c175209fa500d` Hash scope: Hash scope not separately documented; inspect source record
Doi 10.1021/jm300687e Source metadata	Mysinger et al. 2012, J Med Chem 55:6582 (DUD-E, Europe PMC full text) Original source ↗ No field-specific location recorded Version: PMC3405771 (J Med Chem 2012) Retrieved: 2026-10-22T12:01:54Z	catalogued No individual claim review recorded Audit details Field: `attributes.doi` Source artifact SHA-256: `8f20c3adec704671ea668742622567a7c6aec9b38f6d804f977c175209fa500d` Hash scope: Hash scope not separately documented; inspect source record
Licence ACS AuthorChoice open-access terms (permissions statement in the retrieved XML) Source metadata	Mysinger et al. 2012, J Med Chem 55:6582 (DUD-E, Europe PMC full text) Original source ↗ No field-specific location recorded Version: PMC3405771 (J Med Chem 2012) Retrieved: 2026-10-22T12:01:54Z	catalogued No individual claim review recorded Audit details Field: `attributes.licence` Source artifact SHA-256: `8f20c3adec704671ea668742622567a7c6aec9b38f6d804f977c175209fa500d` Hash scope: Hash scope not separately documented; inspect source record
Media type application/xml Source metadata	Mysinger et al. 2012, J Med Chem 55:6582 (DUD-E, Europe PMC full text) Original source ↗ No field-specific location recorded Version: PMC3405771 (J Med Chem 2012) Retrieved: 2026-10-22T12:01:54Z	catalogued No individual claim review recorded Audit details Field: `attributes.media_type` Source artifact SHA-256: `8f20c3adec704671ea668742622567a7c6aec9b38f6d804f977c175209fa500d` Hash scope: Hash scope not separately documented; inspect source record
Publication status peer_reviewed Source metadata	Mysinger et al. 2012, J Med Chem 55:6582 (DUD-E, Europe PMC full text) Original source ↗ No field-specific location recorded Version: PMC3405771 (J Med Chem 2012) Retrieved: 2026-10-22T12:01:54Z	catalogued No individual claim review recorded Audit details Field: `attributes.publication_status` Source artifact SHA-256: `8f20c3adec704671ea668742622567a7c6aec9b38f6d804f977c175209fa500d` Hash scope: Hash scope not separately documented; inspect source record
Retrieval method HTTP GET with urllib, no authentication Source metadata	Mysinger et al. 2012, J Med Chem 55:6582 (DUD-E, Europe PMC full text) Original source ↗ No field-specific location recorded Version: PMC3405771 (J Med Chem 2012) Retrieved: 2026-10-22T12:01:54Z	catalogued No individual claim review recorded Audit details Field: `attributes.retrieval_method` Source artifact SHA-256: `8f20c3adec704671ea668742622567a7c6aec9b38f6d804f977c175209fa500d` Hash scope: Hash scope not separately documented; inspect source record
Retrieved at 2026-10-22T12:01:54Z Source metadata	Mysinger et al. 2012, J Med Chem 55:6582 (DUD-E, Europe PMC full text) Original source ↗ No field-specific location recorded Version: PMC3405771 (J Med Chem 2012) Retrieved: 2026-10-22T12:01:54Z	catalogued No individual claim review recorded Audit details Field: `attributes.retrieved_at` Source artifact SHA-256: `8f20c3adec704671ea668742622567a7c6aec9b38f6d804f977c175209fa500d` Hash scope: Hash scope not separately documented; inspect source record
Review: artifact sha256 8f20c3adec704671ea668742622567a7c6aec9b38f6d804f977c175209fa500d Source metadata	Mysinger et al. 2012, J Med Chem 55:6582 (DUD-E, Europe PMC full text) Original source ↗ No field-specific location recorded Version: PMC3405771 (J Med Chem 2012) Retrieved: 2026-10-22T12:01:54Z	catalogued No individual claim review recorded Audit details Field: `attributes.review.artifact_sha256` Source artifact SHA-256: `8f20c3adec704671ea668742622567a7c6aec9b38f6d804f977c175209fa500d` Hash scope: Hash scope not separately documented; inspect source record
Review: date 2026-10-22 Source metadata	Mysinger et al. 2012, J Med Chem 55:6582 (DUD-E, Europe PMC full text) Original source ↗ No field-specific location recorded Version: PMC3405771 (J Med Chem 2012) Retrieved: 2026-10-22T12:01:54Z	catalogued No individual claim review recorded Audit details Field: `attributes.review.date` Source artifact SHA-256: `8f20c3adec704671ea668742622567a7c6aec9b38f6d804f977c175209fa500d` 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	Mysinger et al. 2012, J Med Chem 55:6582 (DUD-E, Europe PMC full text) Original source ↗ No field-specific location recorded Version: PMC3405771 (J Med Chem 2012) Retrieved: 2026-10-22T12:01:54Z	catalogued No individual claim review recorded Audit details Field: `attributes.review.method_note` Source artifact SHA-256: `8f20c3adec704671ea668742622567a7c6aec9b38f6d804f977c175209fa500d` 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 DUD-E property-matched decoy benchmark (rewire-benchmark-data #177).

Release history

No supporting source is linked yet.

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Technical metadata and extraction receipts

Stable ID: hitdisc-20261022-source-dude2012

areas: molecular-interactions
contexts: research
url: https://www.ebi.ac.uk/europepmc/webservices/rest/PMC3405771/fullTextXML
version: PMC3405771 (J Med Chem 2012)
retrieved at: 2026-10-22T12:01:54Z
artifact sha256: 8f20c3adec704671ea668742622567a7c6aec9b38f6d804f977c175209fa500d
publication status: peer_reviewed
licence: ACS AuthorChoice open-access terms (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: 8f20c3adec704671ea668742622567a7c6aec9b38f6d804f977c175209fa500d; retrieval url: https://www.ebi.ac.uk/europepmc/webservices/rest/PMC3405771/fullTextXML; receipt: data/omics/use-case-coverage-hitdisc-20261022/review.json
doi: 10.1021/jm300687e
media type: application/xml

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