| attributes.label_semantics Positive: the cognate pairing of each VHH, observed in a deposited structure. Negative: a shuffled pairing of a VHH with a non-cognate antigen, which the source assumes does not bind; none was tested experimentally. Context-only references | Structural Plausibility Without Binding Specificity: Limits of AI-Based Antibody-Antigen Structure Prediction Confidence Scores Original source ↗ Results P9 to P11; Methods P66 and P67 Version: bioRxiv version 1, posted 2026-03-03; Europe PMC preprint full text PPR1221387 (manuscript EMS215481); not peer reviewed Retrieved: 2026-10-09T21:25:48Z | not individually reviewed No individual claim review recorded Audit detailsField: attributes.label_semantics Source artifact SHA-256: 0ad24054d98fd1888fa8bf3120f76e22f7bf6b1965261b16f045986d72c50732 Hash scope: JATS XML parse (xml.etree), by extract/extract_structural.py Inspected artifact |
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| attributes.population All VHH-antigen pairings over 91 unique PDB entries; about 89 to 91 positives among about 8041 to 8281 scored pairs, depending on the tool Context-only references | Structural Plausibility Without Binding Specificity: Limits of AI-Based Antibody-Antigen Structure Prediction Confidence Scores Original source ↗ Results P9 to P11; Methods P66 and P67 Version: bioRxiv version 1, posted 2026-03-03; Europe PMC preprint full text PPR1221387 (manuscript EMS215481); not peer reviewed Retrieved: 2026-10-09T21:25:48Z | not individually reviewed No individual claim review recorded Audit detailsField: attributes.population Source artifact SHA-256: 0ad24054d98fd1888fa8bf3120f76e22f7bf6b1965261b16f045986d72c50732 Hash scope: JATS XML parse (xml.etree), by extract/extract_structural.py Inspected artifact |
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| attributes.scope_note Curated from SAbDab-nano (downloaded March 2025; post-October 2021 depositions) and from AACDB, whose pre-cutoff structures were kept on purpose to probe memorisation. Resolution 3.0 Å or better, VHH 110 to 150 residues, antigen 100 to 400 residues. Per-tool training overlap printed by the source: AF3 30 train and 76 test systems, Chai-1 25 and 81, Boltz-2 64 and 42. The abstract gives 11,342 shuffled pairings; Results P8 gives 11,130 (106 squared minus 106). Neither figure is used in a stored value; the scored counts come from Results P11. Context-only references | Structural Plausibility Without Binding Specificity: Limits of AI-Based Antibody-Antigen Structure Prediction Confidence Scores Original source ↗ Results P9 to P11; Methods P66 and P67 Version: bioRxiv version 1, posted 2026-03-03; Europe PMC preprint full text PPR1221387 (manuscript EMS215481); not peer reviewed Retrieved: 2026-10-09T21:25:48Z | not individually reviewed No individual claim review recorded Audit detailsField: attributes.scope_note Source artifact SHA-256: 0ad24054d98fd1888fa8bf3120f76e22f7bf6b1965261b16f045986d72c50732 Hash scope: JATS XML parse (xml.etree), by extract/extract_structural.py Inspected artifact |
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| attributes.source_locator Results P9 to P11; Methods P66 and P67 Context-only references | Structural Plausibility Without Binding Specificity: Limits of AI-Based Antibody-Antigen Structure Prediction Confidence Scores Original source ↗ Results P9 to P11; Methods P66 and P67 Version: bioRxiv version 1, posted 2026-03-03; Europe PMC preprint full text PPR1221387 (manuscript EMS215481); not peer reviewed Retrieved: 2026-10-09T21:25:48Z | not individually reviewed No individual claim review recorded Audit detailsField: attributes.source_locator Source artifact SHA-256: 0ad24054d98fd1888fa8bf3120f76e22f7bf6b1965261b16f045986d72c50732 Hash scope: JATS XML parse (xml.etree), by extract/extract_structural.py Inspected artifact |
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| attributes.version bioRxiv v1 benchmark; Zenodo 10.5281/zenodo.18390239 Context-only references | Structural Plausibility Without Binding Specificity: Limits of AI-Based Antibody-Antigen Structure Prediction Confidence Scores Original source ↗ Results P9 to P11; Methods P66 and P67 Version: bioRxiv version 1, posted 2026-03-03; Europe PMC preprint full text PPR1221387 (manuscript EMS215481); not peer reviewed Retrieved: 2026-10-09T21:25:48Z | not individually reviewed No individual claim review recorded Audit detailsField: attributes.version Source artifact SHA-256: 0ad24054d98fd1888fa8bf3120f76e22f7bf6b1965261b16f045986d72c50732 Hash scope: JATS XML parse (xml.etree), by extract/extract_structural.py Inspected artifact |
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| description Every VHH paired with every antigen; the observed pairing is the positive and all other pairings are treated as non-binders. Context-only references | Structural Plausibility Without Binding Specificity: Limits of AI-Based Antibody-Antigen Structure Prediction Confidence Scores Original source ↗ Results P9 to P11; Methods P66 and P67 Version: bioRxiv version 1, posted 2026-03-03; Europe PMC preprint full text PPR1221387 (manuscript EMS215481); not peer reviewed Retrieved: 2026-10-09T21:25:48Z | not individually reviewed No individual claim review recorded Audit detailsField: description Source artifact SHA-256: 0ad24054d98fd1888fa8bf3120f76e22f7bf6b1965261b16f045986d72c50732 Hash scope: JATS XML parse (xml.etree), by extract/extract_structural.py Inspected artifact |
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| name Smorodina et al. 2026 all-against-all VHH-antigen pairing matrix (91 unique PDB entries) Context-only references | Structural Plausibility Without Binding Specificity: Limits of AI-Based Antibody-Antigen Structure Prediction Confidence Scores Original source ↗ Results P9 to P11; Methods P66 and P67 Version: bioRxiv version 1, posted 2026-03-03; Europe PMC preprint full text PPR1221387 (manuscript EMS215481); not peer reviewed Retrieved: 2026-10-09T21:25:48Z | not individually reviewed No individual claim review recorded Audit detailsField: name Source artifact SHA-256: 0ad24054d98fd1888fa8bf3120f76e22f7bf6b1965261b16f045986d72c50732 Hash scope: JATS XML parse (xml.etree), by extract/extract_structural.py Inspected artifact |
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