Result

0.695 Pearson R

DiffDock · Pearson R · SARS-CoV-2 Mpro ligands

Tested configuration: DiffDock
Task: Ligand potency prediction using generated poses
Dataset: SARS-CoV-2 Mpro ligands
Procedure: Potency prediction using DiffDock ligand-pose generation plus paper scoring pipeline; not a native DiffDock affinity score.
Evaluation: DiffDock: Ligand potency prediction using generated poses
Coverage: scored: unreported; eligible: unreported
Uncertainty: ± 0.037
Evidence: Independent external evaluation · source checkedA Comparative Study of Deep Learning and Classical Modeling Approaches for Protein–Ligand Binding Pose and Affinity Prediction in Coronavirus Main Proteases · Table 3, DiffDock row, Pearson’s R 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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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 0.695 Individual claims	A Comparative Study of Deep Learning and Classical Modeling Approaches for Protein–Ligand Binding Pose and Affinity Prediction in Coronavirus Main Proteases Original source ↗ Table 3, DiffDock row, Pearson’s R column Version: version of record Retrieved: 2026-09-16T10:41:16.557756+00:00	source checked independent ai table review · 2026-09-16T10:41:16.558815+00:00 independent paper Audit details JATS label is bare 3. Selected SARS-CoV-2 Mpro potency Pearson R, not MERS-CoV table 2 or Boltz-2-Internal row; uncertainty retained in evidence. This verifies the central score at its source location, not every metadata field or an experimental reproduction. Field: `attributes.printed_value` Claim: claim-lit-048 Source artifact SHA-256: `c356a1c65a0033e5ae18a05d4afab5495856c5b6869328ff49e13547a4801a57` Hash scope: Hash scope not separately documented; inspect source record Inspected artifact Extraction artifact SHA-256: `c356a1c65a0033e5ae18a05d4afab5495856c5b6869328ff49e13547a4801a57` Extraction artifact

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

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A Comparative Study of Deep Learning and Classical Modeling Approaches for Protein–Ligand Binding Pose and Affinity Prediction in Coronavirus Main Proteases · Original source · version of record

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Technical metadata and extraction receipts

Stable ID: lit-048

areas: molecular-interactions
tasks: Ligand potency prediction using generated poses
printed value: 0.695
numeric value: 0.695
metric: Pearson R
metric direction: unknown
unit: unitless
uncertainty: ± 0.037
source locator: Table 3, DiffDock row, Pearson’s R column
review: method: independent_ai_table_review; reviewer: Codex omics research agent; independent source-table review, not human review; reviewed at: 2026-09-16T10:41:16.558815+00:00; notes: JATS label is bare 3. Selected SARS-CoV-2 Mpro potency Pearson R, not MERS-CoV table 2 or Boltz-2-Internal row; uncertainty retained in evidence. This verifies the central score at its source location, not every metadata field or an experimental reproduction.; evidence: {"table_xml_id": "tbl3", "row_cells": ["DiffDock", "0.973 ± 0.044", "1.192 ± 0.045", "0.695 ± 0.037", "9.93 × 10–39", "0.195 ± 0.061", "0.512 ± 0.028", "0.756 ± 0.014"], "selected_cell_zero_based": 3, "selected_cell_xml": "<td align=\"center\" colspan=\"1\" rowspan=\"1\">0.695 ± 0.037</td>", "caption": "Statistical Performance Metrics of Potency Prediction for SARS-CoV-2 Mpro Using Different Ligand Pose Generation Protocols"}; artifact sha256: c356a1c65a0033e5ae18a05d4afab5495856c5b6869328ff49e13547a4801a57; retrieval url: https://www.ebi.ac.uk/europepmc/webservices/rest/PMC12801289/fullTextXML
legacy id: lit-048
legacy row: id: lit-048; paper id: mpro-pose-affinity-2025; domain id: molecular-interactions; task: Ligand potency prediction using generated poses; model: DiffDock; model version: Not reported; dataset: SARS-CoV-2 Mpro ligands; dataset version: Not reported; split: Not reported; metric: Pearson R; value: 0.695; unit: unitless; uncertainty: ± 0.037; protocol: Potency prediction using DiffDock ligand-pose generation plus paper scoring pipeline; not a native DiffDock affinity score.; source locator: Table 3, DiffDock row, Pearson’s R column; source url: https://pmc.ncbi.nlm.nih.gov/articles/PMC12801289/; 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

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evaluation: DiffDock: Ligand potency prediction using generated poses
subject: Reported Pearson R for DiffDock

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