This paper-specific evaluation tests Ligand potency prediction using generated poses using SARS-CoV-2 Mpro ligands.
Explanatory profile: limited source coverage · Automated source review, 2026-09-16. This does not change the review status of its results.
| Property | Description and evidence |
|---|---|
| Record type | Paper-specific task; protocol incompletely extractedA Comparative Study of Deep Learning and Classical Modeling Approaches for Protein–Ligand Binding Pose and Affinity Prediction in Coronavirus Main Proteases · Table 3, Boltz-2 row, Pearson’s R column; Table 3, DiffDock row, Pearson’s R column |
| Inputs | SARS-CoV-2 Mpro ligandsA Comparative Study of Deep Learning and Classical Modeling Approaches for Protein–Ligand Binding Pose and Affinity Prediction in Coronavirus Main Proteases · Table 3, Boltz-2 row, Pearson’s R column; Table 3, DiffDock row, Pearson’s R column |
| Assessment | Pearson RA Comparative Study of Deep Learning and Classical Modeling Approaches for Protein–Ligand Binding Pose and Affinity Prediction in Coronavirus Main Proteases · Table 3, Boltz-2 row, Pearson’s R column; Table 3, DiffDock row, Pearson’s R column |
| Recorded split or evaluation setting | UnextractedA Comparative Study of Deep Learning and Classical Modeling Approaches for Protein–Ligand Binding Pose and Affinity Prediction in Coronavirus Main Proteases · Table 3, Boltz-2 row, Pearson’s R column; Table 3, DiffDock row, Pearson’s R column |
| Datasets | Not extracted or verified for this record. |
| Organisms | Not extracted or verified for this record. |
| Assays | Not extracted or verified for this record. |
| Adaptation | Not extracted or verified for this record. |
| Baselines | Not extracted or verified for this record. |
Outline of the existing paper extraction. Split membership, fitting details and scorer implementation remain incompletely reviewed.
The existing paper extraction describes: Potency prediction using Boltz-2 ligand-pose generation protocol; see paper scoring pipeline.; Potency prediction using DiffDock ligand-pose generation plus paper scoring pipeline; not a native DiffDock affinity score. This description is retained with the exact evaluation records; it is not a new protocol reconstruction.
A Comparative Study of Deep Learning and Classical Modeling Approaches for Protein–Ligand Binding Pose and Affinity Prediction in Coronavirus Main Proteases · Table 3, Boltz-2 row, Pearson’s R column; Table 3, DiffDock row, Pearson’s R columnRelease 2026-09-16-d74d282221a9 · 2 evaluations · 2 metric rows. Different protocols are not a single leaderboard.
| Metric and finding | Coverage and uncertainty | Evidence |
|---|---|---|
| Boltz-2: Ligand potency prediction using generated poses Model: Boltz-2 · Benchmark: Ligand potency prediction using generated poses · Dataset: SARS-CoV-2 Mpro ligands Potency prediction using Boltz-2 ligand-pose generation protocol; see paper scoring pipeline. Independent external evaluation · Evaluation metadata: needs review | ||
| 0.800 Pearson R Unit: unitless · Direction: unknown | Uncertainty: ± 0.027 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, Boltz-2 row, Pearson’s R column Source checking is not independent reproduction. |
| 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. |
Catalogue extraction inspected; protocol claims remain limited to the cited evidence. Missing details are not presumed absent from the original paper.
Stable record: reported-task-d5f897ab0f6f67Release 2026-09-16-d74d282221a9 · Record review: needs review
Stable ID: reported-task-d5f897ab0f6f67