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9 evaluations · 27 results. Different protocols are not a single leaderboard.
Applied filters: All linked evaluations
| Tested configuration | Protocol and dataset | Finding | Evidence and details |
|---|---|---|---|
| Configuration: AK-score-ensemble · 0.0007 | Protocol: CASF-2016 ranking (Protein–ligand binding affinity scoring) Dataset: CASF-2016 ranking |
0.698
Predictive Index unitless · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceAK-score-ensemble · 0.0007: CASF-2016 ranking Training uses 3,772 PDBbind-2016 refined-set complexes after removal of the 285-complex core test set. CASF separates scoring, ranking and docking power. Aggregation: Not reported AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks · Table 2 (ijms-21-08424-t002), row 11 AK-score-ensemble, column 6: CASF-2016 ranking Predictive Index |
| Configuration: AK-score-single · 0.0010 | Protocol: CASF-2016 ranking (Protein–ligand binding affinity scoring) Dataset: CASF-2016 ranking | 0.505 Kendall tau unitless · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceAK-score-single · 0.0010: CASF-2016 ranking Training uses 3,772 PDBbind-2016 refined-set complexes after removal of the 285-complex core test set. CASF separates scoring, ranking and docking power. Aggregation: Not reported AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks · Table 2 (ijms-21-08424-t002), row 10 AK-score-single, column 5: CASF-2016 ranking Kendall tau |
| Configuration: AK-score-single · 0.0010 | Protocol: CASF-2016 ranking (Protein–ligand binding affinity scoring) Dataset: CASF-2016 ranking | 0.627 Predictive Index unitless · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceAK-score-single · 0.0010: CASF-2016 ranking Training uses 3,772 PDBbind-2016 refined-set complexes after removal of the 285-complex core test set. CASF separates scoring, ranking and docking power. Aggregation: Not reported AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks · Table 2 (ijms-21-08424-t002), row 10 AK-score-single, column 6: CASF-2016 ranking Predictive Index |
| Configuration: K DEEP · 0.0006 | Protocol: CASF-2016 ranking (Protein–ligand binding affinity scoring) Dataset: CASF-2016 ranking | 0.558 Predictive Index unitless · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceK DEEP · 0.0006: CASF-2016 ranking Training uses 3,772 PDBbind-2016 refined-set complexes after removal of the 285-complex core test set. CASF separates scoring, ranking and docking power. Aggregation: Not reported AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks · Table 2 (ijms-21-08424-t002), row 5 K DEEP, column 6: CASF-2016 ranking Predictive Index |
| Configuration: AK-score-ensemble · 0.0007 | Protocol: CASF-2016 ranking (Protein–ligand binding affinity scoring) Dataset: CASF-2016 ranking |
0.589
Kendall tau unitless · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceAK-score-ensemble · 0.0007: CASF-2016 ranking Training uses 3,772 PDBbind-2016 refined-set complexes after removal of the 285-complex core test set. CASF separates scoring, ranking and docking power. Aggregation: Not reported AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks · Table 2 (ijms-21-08424-t002), row 11 AK-score-ensemble, column 5: CASF-2016 ranking Kendall tau |
| Configuration: AK-score-single · 0.0007 | Protocol: CASF-2016 ranking (Protein–ligand binding affinity scoring) Dataset: CASF-2016 ranking | 0.64 Predictive Index unitless · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceAK-score-single · 0.0007: CASF-2016 ranking Training uses 3,772 PDBbind-2016 refined-set complexes after removal of the 285-complex core test set. CASF separates scoring, ranking and docking power. Aggregation: Not reported AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks · Table 2 (ijms-21-08424-t002), row 9 AK-score-single, column 6: CASF-2016 ranking Predictive Index |
| Configuration: AK-score-single · 0.0005 | Protocol: CASF-2016 ranking (Protein–ligand binding affinity scoring) Dataset: CASF-2016 ranking | 0.512 Kendall tau unitless · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceAK-score-single · 0.0005: CASF-2016 ranking Training uses 3,772 PDBbind-2016 refined-set complexes after removal of the 285-complex core test set. CASF separates scoring, ranking and docking power. Aggregation: Not reported AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks · Table 2 (ijms-21-08424-t002), row 8 AK-score-single, column 5: CASF-2016 ranking Kendall tau |
| Configuration: K DEEP · 0.0010 | Protocol: CASF-2016 ranking (Protein–ligand binding affinity scoring) Dataset: CASF-2016 ranking | 0.492 Predictive Index unitless · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceK DEEP · 0.0010: CASF-2016 ranking Training uses 3,772 PDBbind-2016 refined-set complexes after removal of the 285-complex core test set. CASF separates scoring, ranking and docking power. Aggregation: Not reported AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks · Table 2 (ijms-21-08424-t002), row 6 K DEEP, column 6: CASF-2016 ranking Predictive Index |
| Configuration: K DEEP · 0.0001 | Protocol: CASF-2016 ranking (Protein–ligand binding affinity scoring) Dataset: CASF-2016 ranking | 0.559 Predictive Index unitless · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceK DEEP · 0.0001: CASF-2016 ranking Training uses 3,772 PDBbind-2016 refined-set complexes after removal of the 285-complex core test set. CASF separates scoring, ranking and docking power. Aggregation: Not reported AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks · Table 2 (ijms-21-08424-t002), row 3 K DEEP, column 6: CASF-2016 ranking Predictive Index |
| Configuration: K DEEP · 0.0005 | Protocol: CASF-2016 ranking (Protein–ligand binding affinity scoring) Dataset: CASF-2016 ranking | 0.389 Kendall tau unitless · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceK DEEP · 0.0005: CASF-2016 ranking Training uses 3,772 PDBbind-2016 refined-set complexes after removal of the 285-complex core test set. CASF separates scoring, ranking and docking power. Aggregation: Not reported AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks · Table 2 (ijms-21-08424-t002), row 4 K DEEP, column 5: CASF-2016 ranking Kendall tau |
| Configuration: AK-score-ensemble · 0.0007 | Protocol: CASF-2016 ranking (Protein–ligand binding affinity scoring) Dataset: CASF-2016 ranking |
0.67
Spearman correlation unitless · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceAK-score-ensemble · 0.0007: CASF-2016 ranking Training uses 3,772 PDBbind-2016 refined-set complexes after removal of the 285-complex core test set. CASF separates scoring, ranking and docking power. Aggregation: Not reported AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks · Table 2 (ijms-21-08424-t002), row 11 AK-score-ensemble, column 4: CASF-2016 ranking Spearman correlation |
| Configuration: K DEEP · 0.0001 | Protocol: CASF-2016 ranking (Protein–ligand binding affinity scoring) Dataset: CASF-2016 ranking | 0.435 Kendall tau unitless · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceK DEEP · 0.0001: CASF-2016 ranking Training uses 3,772 PDBbind-2016 refined-set complexes after removal of the 285-complex core test set. CASF separates scoring, ranking and docking power. Aggregation: Not reported AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks · Table 2 (ijms-21-08424-t002), row 3 K DEEP, column 5: CASF-2016 ranking Kendall tau |
| Configuration: AK-score-single · 0.0007 | Protocol: CASF-2016 ranking (Protein–ligand binding affinity scoring) Dataset: CASF-2016 ranking | 0.616 Spearman correlation unitless · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceAK-score-single · 0.0007: CASF-2016 ranking Training uses 3,772 PDBbind-2016 refined-set complexes after removal of the 285-complex core test set. CASF separates scoring, ranking and docking power. Aggregation: Not reported AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks · Table 2 (ijms-21-08424-t002), row 9 AK-score-single, column 4: CASF-2016 ranking Spearman correlation |
| Configuration: AK-score-single · 0.0005 | Protocol: CASF-2016 ranking (Protein–ligand binding affinity scoring) Dataset: CASF-2016 ranking | 0.616 Predictive Index unitless · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceAK-score-single · 0.0005: CASF-2016 ranking Training uses 3,772 PDBbind-2016 refined-set complexes after removal of the 285-complex core test set. CASF separates scoring, ranking and docking power. Aggregation: Not reported AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks · Table 2 (ijms-21-08424-t002), row 8 AK-score-single, column 6: CASF-2016 ranking Predictive Index |
| Configuration: AK-score-single · 0.0007 | Protocol: CASF-2016 ranking (Protein–ligand binding affinity scoring) Dataset: CASF-2016 ranking | 0.526 Kendall tau unitless · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceAK-score-single · 0.0007: CASF-2016 ranking Training uses 3,772 PDBbind-2016 refined-set complexes after removal of the 285-complex core test set. CASF separates scoring, ranking and docking power. Aggregation: Not reported AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks · Table 2 (ijms-21-08424-t002), row 9 AK-score-single, column 5: CASF-2016 ranking Kendall tau |
| Configuration: K DEEP · 0.0006 | Protocol: CASF-2016 ranking (Protein–ligand binding affinity scoring) Dataset: CASF-2016 ranking | 0.439 Kendall tau unitless · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceK DEEP · 0.0006: CASF-2016 ranking Training uses 3,772 PDBbind-2016 refined-set complexes after removal of the 285-complex core test set. CASF separates scoring, ranking and docking power. Aggregation: Not reported AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks · Table 2 (ijms-21-08424-t002), row 5 K DEEP, column 5: CASF-2016 ranking Kendall tau |
| Configuration: K DEEP · 0.0001 | Protocol: CASF-2016 ranking (Protein–ligand binding affinity scoring) Dataset: CASF-2016 ranking | 0.539 Spearman correlation unitless · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceK DEEP · 0.0001: CASF-2016 ranking Training uses 3,772 PDBbind-2016 refined-set complexes after removal of the 285-complex core test set. CASF separates scoring, ranking and docking power. Aggregation: Not reported AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks · Table 2 (ijms-21-08424-t002), row 3 K DEEP, column 4: CASF-2016 ranking Spearman correlation |
| Configuration: K DEEP · 0.0005 | Protocol: CASF-2016 ranking (Protein–ligand binding affinity scoring) Dataset: CASF-2016 ranking | 0.535 Predictive Index unitless · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceK DEEP · 0.0005: CASF-2016 ranking Training uses 3,772 PDBbind-2016 refined-set complexes after removal of the 285-complex core test set. CASF separates scoring, ranking and docking power. Aggregation: Not reported AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks · Table 2 (ijms-21-08424-t002), row 4 K DEEP, column 6: CASF-2016 ranking Predictive Index |
| Configuration: K DEEP · 0.0010 | Protocol: CASF-2016 ranking (Protein–ligand binding affinity scoring) Dataset: CASF-2016 ranking | 0.479 Spearman correlation unitless · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceK DEEP · 0.0010: CASF-2016 ranking Training uses 3,772 PDBbind-2016 refined-set complexes after removal of the 285-complex core test set. CASF separates scoring, ranking and docking power. Aggregation: Not reported AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks · Table 2 (ijms-21-08424-t002), row 6 K DEEP, column 4: CASF-2016 ranking Spearman correlation |
| Configuration: K DEEP · 0.0010 | Protocol: CASF-2016 ranking (Protein–ligand binding affinity scoring) Dataset: CASF-2016 ranking | 0.4 Kendall tau unitless · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceK DEEP · 0.0010: CASF-2016 ranking Training uses 3,772 PDBbind-2016 refined-set complexes after removal of the 285-complex core test set. CASF separates scoring, ranking and docking power. Aggregation: Not reported AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks · Table 2 (ijms-21-08424-t002), row 6 K DEEP, column 5: CASF-2016 ranking Kendall tau |
| Configuration: AK-score-single · 0.0001 | Protocol: CASF-2016 ranking (Protein–ligand binding affinity scoring) Dataset: CASF-2016 ranking | 0.456 Kendall tau unitless · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceAK-score-single · 0.0001: CASF-2016 ranking Training uses 3,772 PDBbind-2016 refined-set complexes after removal of the 285-complex core test set. CASF separates scoring, ranking and docking power. Aggregation: Not reported AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks · Table 2 (ijms-21-08424-t002), row 7 AK-score-single, column 5: CASF-2016 ranking Kendall tau |
| Configuration: AK-score-single · 0.0001 | Protocol: CASF-2016 ranking (Protein–ligand binding affinity scoring) Dataset: CASF-2016 ranking | 0.572 Spearman correlation unitless · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceAK-score-single · 0.0001: CASF-2016 ranking Training uses 3,772 PDBbind-2016 refined-set complexes after removal of the 285-complex core test set. CASF separates scoring, ranking and docking power. Aggregation: Not reported AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks · Table 2 (ijms-21-08424-t002), row 7 AK-score-single, column 4: CASF-2016 ranking Spearman correlation |
| Configuration: AK-score-single · 0.0001 | Protocol: CASF-2016 ranking (Protein–ligand binding affinity scoring) Dataset: CASF-2016 ranking | 0.6 Predictive Index unitless · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceAK-score-single · 0.0001: CASF-2016 ranking Training uses 3,772 PDBbind-2016 refined-set complexes after removal of the 285-complex core test set. CASF separates scoring, ranking and docking power. Aggregation: Not reported AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks · Table 2 (ijms-21-08424-t002), row 7 AK-score-single, column 6: CASF-2016 ranking Predictive Index |
| Configuration: AK-score-single · 0.0010 | Protocol: CASF-2016 ranking (Protein–ligand binding affinity scoring) Dataset: CASF-2016 ranking | 0.598 Spearman correlation unitless · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceAK-score-single · 0.0010: CASF-2016 ranking Training uses 3,772 PDBbind-2016 refined-set complexes after removal of the 285-complex core test set. CASF separates scoring, ranking and docking power. Aggregation: Not reported AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks · Table 2 (ijms-21-08424-t002), row 10 AK-score-single, column 4: CASF-2016 ranking Spearman correlation |
| Configuration: K DEEP · 0.0006 | Protocol: CASF-2016 ranking (Protein–ligand binding affinity scoring) Dataset: CASF-2016 ranking | 0.528 Spearman correlation unitless · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceK DEEP · 0.0006: CASF-2016 ranking Training uses 3,772 PDBbind-2016 refined-set complexes after removal of the 285-complex core test set. CASF separates scoring, ranking and docking power. Aggregation: Not reported AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks · Table 2 (ijms-21-08424-t002), row 5 K DEEP, column 4: CASF-2016 ranking Spearman correlation |
Source checking is not independent reproduction. Release 2026-09-29-06401fd5b220.
A dataset supplies biological observations. The evaluation protocol defines how those observations are split, used and scored.
Source checking verifies the cited claim or transcription. It does not establish independent reproduction.
Trace each statement to its source and review. A context-only reference supports the record generally; it does not verify an individual field. Source checking does not reproduce an experiment.
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6 evidence rows matching the loaded filters
| Property and statement | Original source and location | Review and provenance |
|---|---|---|
| attributes.reported_population Not reported Context-only references | AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks A comparison of prediction accuracy with the CASF-2016 dataset.; Table 2 (ijms-21-08424-t002), row 3 K DEEP, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 4 K DEEP, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 5 K DEEP, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 6 K DEEP, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 7 AK-score-single, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 8 AK-score-single, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 9 AK-score-single, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 10 AK-score-single, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 11 AK-score-ensemble, column 4: CASF-2016 ranking Spearman correlation Version: version of record | missing or unspecified No individual claim review recorded Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| attributes.source_locator A comparison of prediction accuracy with the CASF-2016 dataset.; Table 2 (ijms-21-08424-t002), row 3 K DEEP, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 4 K DEEP, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 5 K DEEP, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 6 K DEEP, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 7 AK-score-single, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 8 AK-score-single, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 9 AK-score-single, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 10 AK-score-single, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 11 AK-score-ensemble, column 4: CASF-2016 ranking Spearman correlation Context-only references | AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks A comparison of prediction accuracy with the CASF-2016 dataset.; Table 2 (ijms-21-08424-t002), row 3 K DEEP, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 4 K DEEP, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 5 K DEEP, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 6 K DEEP, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 7 AK-score-single, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 8 AK-score-single, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 9 AK-score-single, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 10 AK-score-single, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 11 AK-score-ensemble, column 4: CASF-2016 ranking Spearman correlation Version: version of record | not individually reviewed No individual claim review recorded Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| attributes.split Training uses 3,772 PDBbind-2016 refined-set complexes after removal of the 285-complex core test set. CASF separates scoring, ranking and docking power. Context-only references | AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks A comparison of prediction accuracy with the CASF-2016 dataset.; Table 2 (ijms-21-08424-t002), row 3 K DEEP, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 4 K DEEP, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 5 K DEEP, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 6 K DEEP, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 7 AK-score-single, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 8 AK-score-single, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 9 AK-score-single, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 10 AK-score-single, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 11 AK-score-ensemble, column 4: CASF-2016 ranking Spearman correlation Version: version of record | not individually reviewed No individual claim review recorded Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| attributes.subset Not reported Context-only references | AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks A comparison of prediction accuracy with the CASF-2016 dataset.; Table 2 (ijms-21-08424-t002), row 3 K DEEP, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 4 K DEEP, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 5 K DEEP, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 6 K DEEP, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 7 AK-score-single, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 8 AK-score-single, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 9 AK-score-single, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 10 AK-score-single, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 11 AK-score-ensemble, column 4: CASF-2016 ranking Spearman correlation Version: version of record | missing or unspecified No individual claim review recorded Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| description Dataset and cohort used in the cited comparison. Dataset population counts do not establish successful prediction coverage. Context-only references | AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks A comparison of prediction accuracy with the CASF-2016 dataset.; Table 2 (ijms-21-08424-t002), row 3 K DEEP, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 4 K DEEP, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 5 K DEEP, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 6 K DEEP, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 7 AK-score-single, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 8 AK-score-single, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 9 AK-score-single, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 10 AK-score-single, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 11 AK-score-ensemble, column 4: CASF-2016 ranking Spearman correlation Version: version of record | not individually reviewed No individual claim review recorded Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| name CASF-2016 ranking Context-only references | AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks A comparison of prediction accuracy with the CASF-2016 dataset.; Table 2 (ijms-21-08424-t002), row 3 K DEEP, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 4 K DEEP, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 5 K DEEP, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 6 K DEEP, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 7 AK-score-single, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 8 AK-score-single, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 9 AK-score-single, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 10 AK-score-single, column 4: CASF-2016 ranking Spearman correlation; Table 2 (ijms-21-08424-t002), row 11 AK-score-ensemble, column 4: CASF-2016 ranking Spearman correlation Version: version of record | not individually reviewed No individual claim review recorded Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
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Stable ID: paper-dataset-1586129df956852448