Result

Ligand RMSD (median over complexes) of DiffDock on PLINDER-L95

1.34 Ligand RMSD (median over complexes)

Methods

Tested configuration: DiffDock
Task: Protein–ligand pose prediction
Dataset: PLINDER-L95
Procedure: All entries; rigid-protein docking comparator; authors note this dataset contains structures seen during model training.
Evaluation: DiffDock: Protein–ligand pose prediction
Coverage: Not reported scored / Not reported eligible
Uncertainty: Not yet extracted
Evidence: Independent external evaluation · source checkedImproving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Table 1, DiffDock row, Ligand RMSD (Å) 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

Split: Not reported
Adaptation: Not reported
Scoring implementation: Not reported

No execution recipe has been verified for this exact configuration and evaluation. A benchmark's general instructions may use different inputs, splits or model settings.

Reproducing this published result requires matching its model configuration, data, split and scorer. Source checking or a successful smoke test does not establish score reproduction.

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.

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1 evidence row 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
Printed value 1.342 Individual claims	Improving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction Original source ↗ Table 1, DiffDock row, Ligand RMSD (Å) column Version: version of record Retrieved: 2026-09-16T10:41:16.555674+00:00	source checked ["ai-assisted-source-review"] · 2026-09-16T10:41:16.556572+00:00 independent paper Audit details JATS label is bare 1. Selected Ligand RMSD column in Plinder-L95, not Protein RMSD; retained method row without refinement settings. This verifies the central score at its source location, not every metadata field or an experimental reproduction. Field: `attributes.printed_value` Claim: claim-lit-046 Source artifact SHA-256: `78a77b9a0ab8bfa371f5b9baef3f443f4590d6e71cf864d67e90e9ebdfa7fc1b` Hash scope: Hash scope not separately documented; inspect source record Inspected artifact Extraction artifact SHA-256: `78a77b9a0ab8bfa371f5b9baef3f443f4590d6e71cf864d67e90e9ebdfa7fc1b` Extraction artifact

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Sources and history

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

1 source record and release history

Improving Stereochemical Limitations in Protein–Ligand Complex Structure Prediction · Original source · version of record

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Technical metadata and extraction receipts

Stable ID: lit-046

areas: molecular-interactions
tasks: Protein–ligand pose prediction
printed value: 1.342
numeric value: 1.342
metric: ligand-rmsd
metric direction: unknown
unit: angstrom
source locator: Table 1, DiffDock row, Ligand RMSD (Å) column
review: method: ai-assisted-source-review; reviewer: codex; reviewed at: 2026-09-16T10:41:16.556572+00:00; evidence: {"table_xml_id": "tbl1", "row_cells": ["DiffDock", "", "", "1.342", "100", "0", "0"], "selected_cell_zero_based": 3, "selected_cell_xml": "<td align=\"center\" colspan=\"1\" rowspan=\"1\">1.342</td>", "caption": "Evaluation Metrics for Protein and Ligand Structure Prediction Performance across All Entries in the Plinder-L95 Data Set"}; artifact sha256: 78a77b9a0ab8bfa371f5b9baef3f443f4590d6e71cf864d67e90e9ebdfa7fc1b; retrieval url: https://www.ebi.ac.uk/europepmc/webservices/rest/PMC12658688/fullTextXML; method note: independent; table-level review; reviewer note: role: omics research agent; independent source-table review; not human review; note: JATS label is bare 1. Selected Ligand RMSD column in Plinder-L95, not Protein RMSD; retained method row without refinement settings. This verifies the central score at its source location, not every metadata field or an experimental reproduction.
legacy id: lit-046
missing metadata: dataset version: reason: unextracted; model version: reason: unextracted; split: reason: unextracted; uncertainty: reason: unextracted
metric qualifier: median over complexes

Related records

evaluation: DiffDock: Protein–ligand pose prediction
subject: Reported Median ligand RMSD for DiffDock

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