This paper-specific evaluation tests Protein–ligand binding affinity prediction using PDBbind core v2016.
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 extractedDEELIG: A Deep Learning Approach to Predict Protein-Ligand Binding Affinity · Table 2, DEELIG row, PDBbind v2016 column; Table 2, TOPBP (Complex) row, PDBbind v2016 column |
| Inputs | PDBbind core v2016DEELIG: A Deep Learning Approach to Predict Protein-Ligand Binding Affinity · Table 2, DEELIG row, PDBbind v2016 column; Table 2, TOPBP (Complex) row, PDBbind v2016 column |
| Assessment | Pearson RDEELIG: A Deep Learning Approach to Predict Protein-Ligand Binding Affinity · Table 2, DEELIG row, PDBbind v2016 column; Table 2, TOPBP (Complex) row, PDBbind v2016 column |
| Recorded split or evaluation setting | UnextractedDEELIG: A Deep Learning Approach to Predict Protein-Ligand Binding Affinity · Table 2, DEELIG row, PDBbind v2016 column; Table 2, TOPBP (Complex) row, PDBbind v2016 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: Source paper reports DEELIG on PDBbind core set.; Source table compiles a previously published comparator; protocol equivalence is not established. This description is retained with the exact evaluation records; it is not a new protocol reconstruction.
DEELIG: A Deep Learning Approach to Predict Protein-Ligand Binding Affinity · Table 2, DEELIG row, PDBbind v2016 column; Table 2, TOPBP (Complex) row, PDBbind v2016 columnRelease 2026-09-16-d74d282221a9 · 2 evaluations · 2 metric rows. Different protocols are not a single leaderboard.
| Metric and finding | Coverage and uncertainty | Evidence |
|---|---|---|
| DEELIG: Protein–ligand binding affinity prediction Source paper reports DEELIG on PDBbind core set. Author-reported evaluation · Evaluation metadata: needs review | ||
| 0.889 Pearson R Unit: unitless · Direction: unknown | Uncertainty: not reported in legacy extract Scored: Not reported · Eligible: Not reported | source checkedDEELIG: A Deep Learning Approach to Predict Protein-Ligand Binding Affinity · Table 2, DEELIG row, PDBbind v2016 column Source checking is not independent reproduction. |
| TOPBP (Complex): Protein–ligand binding affinity prediction Model: TOPBP (Complex) · Benchmark: Protein–ligand binding affinity prediction · Dataset: PDBbind core v2016 Source table compiles a previously published comparator; protocol equivalence is not established. Result quoted from another source · Evaluation metadata: needs review | ||
| 0.861 Pearson R Unit: unitless · Direction: unknown | Uncertainty: not reported in legacy extract Scored: Not reported · Eligible: Not reported | source checkedDEELIG: A Deep Learning Approach to Predict Protein-Ligand Binding Affinity · Table 2, TOPBP (Complex) row, PDBbind v2016 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-d81be76396e644Release 2026-09-16-d74d282221a9 · Record review: needs review
Stable ID: reported-task-d81be76396e644