1.01 MAE
AK-score-ensemble: MAE on PDBbind-2016 core set
- Tested configuration
- AK-score-ensemble · 0.0007
- Protocol
- PDBbind-2016 core set (Protein–ligand binding affinity scoring)
- Dataset
- PDBbind-2016 core set
- Procedure
- 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.
- Evaluation
- AK-score-ensemble · 0.0007: PDBbind-2016 core set
- Coverage
- scored: unreported; eligible: unreported
- Uncertainty
- Not reported
- Evidence
- Author-reported evaluation · source checkedAK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks · Table 1 (ijms-21-08424-t001), row 10 AK-score-ensemble, column 3: PDBbind-2016 core set MAE
A source-checked result verifies the numerical transcription, not every model or protocol detail. Evaluation metadata: needs review. Source checked does not mean independently reproduced.
Reproduction
- 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.
- Adaptation
- Average of 20 independently trained networks; Table-specific network configuration; learning rate 0.0007
- Scoring implementation
- Not reported
No execution recipe has been verified for this exact configuration and evaluation. A benchmark's general instructions may use different inputs, splits or model settings.
Reproducing this published result requires matching its model configuration, data, split and scorer. Source checking or a successful smoke test does not establish score reproduction.
Evidence
Source checking verifies the cited claim or transcription. It does not establish independent reproduction.
Evidence table
Inspect claims, sources and review details
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.
One row per statement and cited source. Multiple citations are not independent evaluations. Shared locators are labelled explicitly.
1 evidence row matching the loaded filters
| Property and statement | Original source and location | Review and provenance |
|---|---|---|
| Reported result
1.014
Individual claims | AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks Table 1 (ijms-21-08424-t001), row 10 AK-score-ensemble, column 3: PDBbind-2016 core set MAE Version: version of record | source checked Primary-table transcription and separate automated source review · 2026-09-17 author reported Audit detailsSource checked does not mean experimentally reproduced. Field: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
Sources and history
View linked audit checks and correction history
Release 2026-09-29-06401fd5b220 · Record review: source checked
1 source records and release history
- AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks · Original source · version of record
Technical metadata and extraction receipts
Stable ID: paper-result-42921822c26167495c
- areas
- molecular-interactions
- tasks
- Protein–ligand binding affinity scoring
- printed value
- 1.014
- numeric value
- 1.014
- metric
- MAE
- metric direction
- lower
- unit
- kcal/mol
- uncertainty
- Not reported
- eligible count
- Not reported
- scored count
- Not reported
- reported population
- count: 285; unit: protein–ligand complexes
- source locator
- Table 1 (ijms-21-08424-t001), row 10 AK-score-ensemble, column 3: PDBbind-2016 core set MAE
- source occurrences
- source id: akscore-2020; locator: Table 1 (ijms-21-08424-t001), row 10 AK-score-ensemble, column 3: PDBbind-2016 core set MAE
- review
- method: Primary-table transcription and separate automated source review; date: 2026-09-17; note: Source checked does not mean experimentally reproduced.
- missing metadata
- scored count: unreported; eligible count: unextracted; checkpoint revision: unextracted; uncertainty: unreported