This paper-specific evaluation tests Protein–ligand binding energy prediction using Fingerprint-scoring benchmark.
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 extractedMachine-Learning- and Knowledge-Based Scoring Functions Incorporating Ligand and Protein Fingerprints · Table 1, PMF + ECFP + PF / LightGBM row, R column; Table 1, PMF / LASSO row, R column |
| Inputs | Fingerprint-scoring benchmarkMachine-Learning- and Knowledge-Based Scoring Functions Incorporating Ligand and Protein Fingerprints · Table 1, PMF + ECFP + PF / LightGBM row, R column; Table 1, PMF / LASSO row, R column |
| Assessment | Pearson RMachine-Learning- and Knowledge-Based Scoring Functions Incorporating Ligand and Protein Fingerprints · Table 1, PMF + ECFP + PF / LightGBM row, R column; Table 1, PMF / LASSO row, R column |
| Recorded split or evaluation setting | UnextractedMachine-Learning- and Knowledge-Based Scoring Functions Incorporating Ligand and Protein Fingerprints · Table 1, PMF + ECFP + PF / LightGBM row, R column; Table 1, PMF / LASSO row, 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: Binding-energy model using ligand and protein fingerprints with LightGBM.; PMF-only LASSO baseline evaluated by the same authors. This description is retained with the exact evaluation records; it is not a new protocol reconstruction.
Machine-Learning- and Knowledge-Based Scoring Functions Incorporating Ligand and Protein Fingerprints · Table 1, PMF + ECFP + PF / LightGBM row, R column; Table 1, PMF / LASSO row, 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 |
|---|---|---|
| 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. |
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-94802534b7026dRelease 2026-09-16-d74d282221a9 · Record review: needs review
Stable ID: reported-task-94802534b7026d