evaluation · needs review
Vina: Protein–ligand virtual screening
Evaluation procedure
Vina scoring on the same DiffDock-NMDN blind docked poses; not ligand-pose RMSD.
- Model
- Vina
- Benchmark
- Protein–ligand virtual screening
- Dataset
- CASF-2016 blind docked poses
- origin
- Independent external evaluation
- configuration
- Not reported
- protocol id
- Not reported
- dataset version
- Not reported
- split
- Not reported
- population
- Not reported
- inputs
- Not reported
- adaptation
- Not reported
- metric implementation
- Not reported
- aggregation
- Not reported
- budget
- Not reported
Metadata review: needs review. Unreported conditions prevent automatic comparisons.
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 |
|---|---|---|
| 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. |
Sources and history
Release 2026-09-16-d74d282221a9 · Record review: needs review
- Normalized Protein–Ligand Distance Likelihood Score for End-to-End Blind Docking and Virtual Screening · Original source · version of record
Technical metadata and extraction receipts
Stable ID: evaluation-lit-044
- areas
- molecular-interactions
- tasks
- Protein–ligand virtual screening
- origin
- independent_paper
- protocol
- Vina scoring on the same DiffDock-NMDN blind docked poses; not ligand-pose RMSD.
- version
- Not reported
- comparison
- protocol id: Not reported; dataset version: Not reported; split: Not reported; population: Not reported; inputs: Not reported; adaptation: Not reported; metric implementation: Not reported; aggregation: Not reported; budget: Not reported
- missing metadata
- model version: not_reported_in_legacy_extract; dataset version: not_reported_in_legacy_extract; split: not_reported_in_legacy_extract
Related records
- model: Vina
- benchmark: Protein–ligand virtual screening
- dataset: CASF-2016 blind docked poses
- evaluation: Vina · Forward-screening success rate · CASF-2016 blind docked poses