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.
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1 evaluation · 3 results. Different protocols are not a single leaderboard.
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| Tested configuration | Protocol and dataset | Finding | Evidence and details |
|---|---|---|---|
| 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: 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 · 0.0005 | Protocol: CASF-2016 ranking (Protein–ligand binding affinity scoring) Dataset: CASF-2016 ranking | 0.596 Spearman correlation unitless · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceAK-score-single · 0.0005: 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 4: CASF-2016 ranking Spearman correlation |
Source checking is not independent reproduction. Release 2026-09-29-06401fd5b220.
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.
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19 evidence rows matching the loaded filters
| Property and statement | Original source and location | Review and provenance |
|---|---|---|
| attributes.comparison.adaptation Table-specific network configuration; learning rate 0.0005 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 author reported Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| attributes.comparison.aggregation 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 author reported Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| attributes.comparison.budget 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 author reported Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| attributes.comparison.dataset_version 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 author reported Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| attributes.comparison.inputs 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 author reported Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| attributes.comparison.metric_implementation 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 author reported Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| attributes.comparison.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 author reported Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| attributes.comparison.protocol_id paper-protocol-0c5a1c5ef6896a2d96 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 author reported Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| attributes.comparison.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 author reported Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| attributes.comparison.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 author reported Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
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