Fingerprint-scoring benchmark
Evaluation results
Release 2026-09-16-d74d282221a9 · 2 evaluations · 2 metric rows. Different protocols are not a single leaderboard.
| Metric and finding | Coverage and uncertainty | Evidence |
|---|---|---|
| PMF + ECFP + PF (LightGBM): Protein–ligand binding energy prediction Model: PMF + ECFP + PF (LightGBM) · Benchmark: Protein–ligand binding energy prediction · Dataset: Fingerprint-scoring benchmark Binding-energy model using ligand and protein fingerprints with LightGBM. Author-reported evaluation · Evaluation metadata: needs review | ||
| 0.79 Pearson R Unit: unitless · Direction: unknown | Uncertainty: not reported in legacy extract Scored: Not reported · Eligible: Not reported | source checkedMachine-Learning- and Knowledge-Based Scoring Functions Incorporating Ligand and Protein Fingerprints · Table 1, PMF + ECFP + PF / LightGBM row, R column Source checking is not independent reproduction. |
| PMF (LASSO): Protein–ligand binding energy prediction Model: PMF (LASSO) · Benchmark: Protein–ligand binding energy prediction · Dataset: Fingerprint-scoring benchmark PMF-only LASSO baseline evaluated by the same authors. Author-reported evaluation · Evaluation metadata: needs review | ||
| 0.67 Pearson R Unit: unitless · Direction: unknown | Uncertainty: not reported in legacy extract Scored: Not reported · Eligible: Not reported | source checkedMachine-Learning- and Knowledge-Based Scoring Functions Incorporating Ligand and Protein Fingerprints · Table 1, PMF / LASSO row, R column Source checking is not independent reproduction. |
Sources and history
Release 2026-09-16-d74d282221a9 · Record review: needs review
- Machine-Learning- and Knowledge-Based Scoring Functions Incorporating Ligand and Protein Fingerprints · Original source · PMC archival version PMC9178954.1
Technical metadata and extraction receipts
Stable ID: reported-dataset-16d01b5ef88e84
- areas
- molecular-interactions
- version
- Not reported
- split
- Not reported
- missing metadata
- version: not_reported_in_legacy_extract; split: not_reported_in_legacy_extract; accession: not_reported_in_legacy_extract