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: K DEEP · 0.0010 | Protocol: CASF-2016 docking (Protein–ligand binding affinity scoring) Dataset: CASF-2016 docking | 44.6% Top 3 success percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceK DEEP · 0.0010: CASF-2016 docking 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 9: CASF-2016 docking Top 3 success |
| Configuration: K DEEP · 0.0010 | Protocol: CASF-2016 docking (Protein–ligand binding affinity scoring) Dataset: CASF-2016 docking | 24.8% Top 1 success percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceK DEEP · 0.0010: CASF-2016 docking 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 7: CASF-2016 docking Top 1 success |
| Configuration: K DEEP · 0.0010 | Protocol: CASF-2016 docking (Protein–ligand binding affinity scoring) Dataset: CASF-2016 docking | 36.3% Top 2 success percent · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceK DEEP · 0.0010: CASF-2016 docking 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 8: CASF-2016 docking Top 2 success |
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 K_DEEP reimplemented by AK-score authors in Keras 2.2.4 / TensorFlow 1.13.1; Table-specific network configuration; learning rate 0.0010 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 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 4 K DEEP, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 5 K DEEP, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 6 K DEEP, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 7 AK-score-single, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 8 AK-score-single, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 9 AK-score-single, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 10 AK-score-single, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 11 AK-score-ensemble, column 7: CASF-2016 docking Top 1 success Version: version of record | not individually reviewed No individual claim review recorded independent paper 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 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 4 K DEEP, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 5 K DEEP, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 6 K DEEP, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 7 AK-score-single, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 8 AK-score-single, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 9 AK-score-single, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 10 AK-score-single, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 11 AK-score-ensemble, column 7: CASF-2016 docking Top 1 success Version: version of record | missing or unspecified No individual claim review recorded independent paper 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 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 4 K DEEP, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 5 K DEEP, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 6 K DEEP, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 7 AK-score-single, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 8 AK-score-single, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 9 AK-score-single, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 10 AK-score-single, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 11 AK-score-ensemble, column 7: CASF-2016 docking Top 1 success Version: version of record | missing or unspecified No individual claim review recorded independent paper 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 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 4 K DEEP, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 5 K DEEP, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 6 K DEEP, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 7 AK-score-single, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 8 AK-score-single, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 9 AK-score-single, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 10 AK-score-single, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 11 AK-score-ensemble, column 7: CASF-2016 docking Top 1 success Version: version of record | missing or unspecified No individual claim review recorded independent paper 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 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 4 K DEEP, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 5 K DEEP, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 6 K DEEP, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 7 AK-score-single, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 8 AK-score-single, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 9 AK-score-single, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 10 AK-score-single, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 11 AK-score-ensemble, column 7: CASF-2016 docking Top 1 success Version: version of record | missing or unspecified No individual claim review recorded independent paper 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 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 4 K DEEP, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 5 K DEEP, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 6 K DEEP, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 7 AK-score-single, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 8 AK-score-single, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 9 AK-score-single, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 10 AK-score-single, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 11 AK-score-ensemble, column 7: CASF-2016 docking Top 1 success Version: version of record | missing or unspecified No individual claim review recorded independent paper 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 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 4 K DEEP, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 5 K DEEP, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 6 K DEEP, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 7 AK-score-single, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 8 AK-score-single, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 9 AK-score-single, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 10 AK-score-single, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 11 AK-score-ensemble, column 7: CASF-2016 docking Top 1 success Version: version of record | missing or unspecified No individual claim review recorded independent paper Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| attributes.comparison.protocol_id paper-protocol-9e3344661a0f282e5e 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 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 4 K DEEP, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 5 K DEEP, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 6 K DEEP, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 7 AK-score-single, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 8 AK-score-single, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 9 AK-score-single, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 10 AK-score-single, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 11 AK-score-ensemble, column 7: CASF-2016 docking Top 1 success Version: version of record | not individually reviewed No individual claim review recorded independent paper 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 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 4 K DEEP, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 5 K DEEP, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 6 K DEEP, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 7 AK-score-single, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 8 AK-score-single, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 9 AK-score-single, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 10 AK-score-single, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 11 AK-score-ensemble, column 7: CASF-2016 docking Top 1 success Version: version of record | not individually reviewed No individual claim review recorded independent paper 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 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 4 K DEEP, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 5 K DEEP, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 6 K DEEP, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 7 AK-score-single, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 8 AK-score-single, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 9 AK-score-single, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 10 AK-score-single, column 7: CASF-2016 docking Top 1 success; Table 2 (ijms-21-08424-t002), row 11 AK-score-ensemble, column 7: CASF-2016 docking Top 1 success Version: version of record | missing or unspecified No individual claim review recorded independent paper Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
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