result · source checked
0.695 Pearson R
DiffDock · Pearson R · SARS-CoV-2 Mpro ligands
- Tested model
- DiffDock
- Task or benchmark
- 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
- 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.
Evaluation results
Release 2026-09-16-d74d282221a9 · 1 evaluation · 1 metric row. Different protocols are not a single leaderboard.
| Metric and finding | Coverage and uncertainty | Evidence |
|---|---|---|
| DiffDock: Ligand potency prediction using generated poses Model: DiffDock · Benchmark: Ligand potency prediction using generated poses · Dataset: SARS-CoV-2 Mpro ligands Potency prediction using DiffDock ligand-pose generation plus paper scoring pipeline; not a native DiffDock affinity score. Independent external evaluation · Evaluation metadata: needs review | ||
| 0.695 Pearson R Unit: unitless · Direction: unknown | Uncertainty: ± 0.037 Scored: Not reported · Eligible: Not reported | 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 Source checking is not independent reproduction. |
Sources and history
Release 2026-09-16-d74d282221a9 · Record review: source checked
- 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
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