This paper-specific evaluation tests Protein–ligand virtual screening using CASF-2016 blind docked poses.
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 extractedNormalized Protein–Ligand Distance Likelihood Score for End-to-End Blind Docking and Virtual Screening · Table 2, DiffDock-NMDN / NMDN row, success rate (%) column; Table 2, Vina scoring row, success rate (%) column |
| Inputs | CASF-2016 blind docked posesNormalized Protein–Ligand Distance Likelihood Score for End-to-End Blind Docking and Virtual Screening · Table 2, DiffDock-NMDN / NMDN row, success rate (%) column; Table 2, Vina scoring row, success rate (%) column |
| Assessment | Forward-screening success rateNormalized Protein–Ligand Distance Likelihood Score for End-to-End Blind Docking and Virtual Screening · Table 2, DiffDock-NMDN / NMDN row, success rate (%) column; Table 2, Vina scoring row, success rate (%) column |
| Recorded split or evaluation setting | UnextractedNormalized Protein–Ligand Distance Likelihood Score for End-to-End Blind Docking and Virtual Screening · Table 2, DiffDock-NMDN / NMDN row, success rate (%) column; Table 2, Vina scoring row, success rate (%) 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: NMDN scoring on DiffDock-NMDN blind docked poses; not ligand-pose RMSD.; Vina scoring on the same DiffDock-NMDN blind docked poses; not ligand-pose RMSD. This description is retained with the exact evaluation records; it is not a new protocol reconstruction.
Normalized Protein–Ligand Distance Likelihood Score for End-to-End Blind Docking and Virtual Screening · Table 2, DiffDock-NMDN / NMDN row, success rate (%) column; Table 2, Vina scoring row, success rate (%) columnRelease 2026-09-16-d74d282221a9 · 2 evaluations · 2 metric rows. Different protocols are not a single leaderboard.
| Metric and finding | Coverage and uncertainty | Evidence |
|---|---|---|
| DiffDock-NMDN: Protein–ligand virtual screening Model: DiffDock-NMDN · Benchmark: Protein–ligand virtual screening · Dataset: CASF-2016 blind docked poses NMDN scoring on DiffDock-NMDN blind docked poses; not ligand-pose RMSD. Author-reported evaluation · Evaluation metadata: needs review | ||
| 66.7 Forward-screening success rate Unit: % · Direction: unknown | Uncertainty: not reported in legacy extract Scored: Not reported · Eligible: Not reported | source checkedNormalized Protein–Ligand Distance Likelihood Score for End-to-End Blind Docking and Virtual Screening · Table 2, DiffDock-NMDN / NMDN row, success rate (%) column Source checking is not independent reproduction. |
| Vina: Protein–ligand virtual screening Vina scoring on the same DiffDock-NMDN blind docked poses; not ligand-pose RMSD. Independent external evaluation · Evaluation metadata: needs review | ||
| 42.1 Forward-screening success rate Unit: % · Direction: unknown | Uncertainty: not reported in legacy extract Scored: Not reported · Eligible: Not reported | source checkedNormalized Protein–Ligand Distance Likelihood Score for End-to-End Blind Docking and Virtual Screening · Table 2, Vina scoring row, success rate (%) 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-a7803ecf7708ccRelease 2026-09-16-d74d282221a9 · Record review: needs review
Stable ID: reported-task-a7803ecf7708cc