Result

1.34 Median ligand RMSD

DiffDock · Median ligand RMSD · PLINDER-L95

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: scored: unreported; eligible: unreported
Uncertainty: Not reported
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

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Adaptation: Not reported
Scoring implementation: Not reported

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Access requirements and official instructions: Protein–ligand pose prediction

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

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Evidence table

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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 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 independent ai table 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

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

1 source records 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: Median ligand RMSD
metric direction: unknown
unit: Å
uncertainty: Not reported
source locator: Table 1, DiffDock row, Ligand RMSD (Å) column
review: method: independent_ai_table_review; reviewer: Codex omics research agent; independent source-table review, not human review; reviewed at: 2026-09-16T10:41:16.556572+00:00; notes: 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.; 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
legacy id: lit-046
legacy row: id: lit-046; paper id: boltz-stereochemistry-2025; domain id: molecular-interactions; task: Protein–ligand pose prediction; model: DiffDock; model version: Not reported; dataset: PLINDER-L95; dataset version: Not reported; split: Not reported; metric: Median ligand RMSD; value: 1.342; unit: Å; uncertainty: Not reported; protocol: All entries; rigid-protein docking comparator; authors note this dataset contains structures seen during model training.; source locator: Table 1, DiffDock row, Ligand RMSD (Å) column; source url: https://pmc.ncbi.nlm.nih.gov/articles/PMC12658688/; evaluation origin: independent_paper; reviewed utc: 2026-09-15T23:25:00Z
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: DiffDock: Protein–ligand pose prediction
subject: Reported Median ligand RMSD for DiffDock

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