Result

36.7 RMSD ≤1 Å and PB-valid success

MolAS · RMSD ≤1 Å and PB-valid success · PoseBusters

Tested configuration: MolAS
Task: Physically valid protein–ligand pose selection
Dataset: PoseBusters
Procedure: Averaged five-fold algorithm-selection performance on PoseBusters; joint RMSD and validity criterion.
Evaluation: MolAS: Physically valid protein–ligand pose selection
Coverage: scored: unreported; eligible: unreported
Uncertainty: Not reported
Evidence: Author-reported evaluation · source checkedMolecular embedding-based algorithm selection in protein-ligand docking · Table 3, PoseBusters / Mixed / AutoDock row, MolAS success column

A source-checked result verifies the numerical transcription, not every model or protocol detail. Evaluation metadata: needs review. Source checked does not mean independently reproduced.

Reproduction

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Adaptation: Not reported
Scoring implementation: Not reported

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Access requirements and official instructions: Physically valid protein–ligand pose selection

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Evidence

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1 evidence row matching the loaded filters

Claims, original sources and review scope · Release 2026-09-29-06401fd5b220
Property and statement	Original source and location	Review and provenance
attributes.printed_value 36.69 Individual claims	Molecular embedding-based algorithm selection in protein-ligand docking Original source ↗ Table 3, PoseBusters / Mixed / AutoDock row, MolAS success column Version: PMC archival version PMC13104262.1 Retrieved: 2026-09-16T10:44:03.432565+00:00	source checked independent ai table review · 2026-09-16T10:44:03.432565+00:00 author reported Audit details PoseBusters, Mixed, AutoDock row within jointly trained with/without relaxation block. Selected RMSD <=1 Angstrom AND PB-valid group; five-fold average success percentage, not <=2 Angstrom. Inline bold digit nodes joined in original order. Source check verifies central value and table context, not experiment reproduction or all metadata. Field: `attributes.printed_value` Claim: claim-lit-b3-044 Source artifact SHA-256: `d556d47e0f7bbdc37eb62374b85ac9092dc7ff438fbae9e42892ac2cc784023f` Hash scope: Hash scope not separately documented; inspect source record Inspected artifact Extraction artifact SHA-256: `d556d47e0f7bbdc37eb62374b85ac9092dc7ff438fbae9e42892ac2cc784023f` Extraction artifact

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Release 2026-09-29-06401fd5b220 · Record review: source checked

1 source records and release history

Molecular embedding-based algorithm selection in protein-ligand docking · Original source · PMC archival version PMC13104262.1

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Technical metadata and extraction receipts

Stable ID: lit-b3-044

areas: molecular-interactions
tasks: Physically valid protein–ligand pose selection
printed value: 36.69
numeric value: 36.69
metric: RMSD ≤1 Å and PB-valid success
metric direction: unknown
unit: %
uncertainty: Not reported
source locator: Table 3, PoseBusters / Mixed / AutoDock row, MolAS success column
review: method: independent_ai_table_review; reviewer: Codex omics research agent; independent source-table review, not human review; reviewed at: 2026-09-16T10:44:03.432565+00:00; notes: PoseBusters, Mixed, AutoDock row within jointly trained with/without relaxation block. Selected RMSD <=1 Angstrom AND PB-valid group; five-fold average success percentage, not <=2 Angstrom. Inline bold digit nodes joined in original order. Source check verifies central value and table context, not experiment reproduction or all metadata.; evidence: {"table_xml_id": "Tab3", "row_cells": ["PoseBusters", "Mixed", "AutoDock", "34.34", "36.69", "8.90", "51.17", "54.91", "11.87"], "selected_cell_zero_based": 4, "selected_cell_xml": "<td align=\"left\" colspan=\"1\" rowspan=\"1\"><bold>36</bold>.<bold>69</bold></td>", "caption": "Averaged 5-fold MolAS performance v.s. SBS across benchmarks"}; artifact sha256: d556d47e0f7bbdc37eb62374b85ac9092dc7ff438fbae9e42892ac2cc784023f; retrieval url: https://www.ebi.ac.uk/europepmc/webservices/rest/PMC13104262/fullTextXML
legacy id: lit-b3-044
legacy row: id: lit-b3-044; paper id: molas-2026; domain id: molecular-interactions; task: Physically valid protein–ligand pose selection; model: MolAS; model version: Not reported; dataset: PoseBusters; dataset version: Not reported; split: Not reported; metric: RMSD ≤1 Å and PB-valid success; value: 36.69; unit: %; uncertainty: Not reported; protocol: Averaged five-fold algorithm-selection performance on PoseBusters; joint RMSD and validity criterion.; source locator: Table 3, PoseBusters / Mixed / AutoDock row, MolAS success column; source url: https://pmc.ncbi.nlm.nih.gov/articles/PMC13104262/; evaluation origin: author_reported; reviewed utc: 2026-09-15T23:29:32Z
missing metadata: model version: not_reported_in_legacy_extract; dataset version: not_reported_in_legacy_extract; split: not_reported_in_legacy_extract; uncertainty: not_reported_in_legacy_extract

Related records

evaluation: MolAS: Physically valid protein–ligand pose selection
subject: Reported RMSD ≤1 Å and PB-valid success for MolAS

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