Result

0.559 Predictive Index

K DEEP: Predictive Index on CASF-2016 ranking

Tested configuration: K DEEP · 0.0001
Protocol: CASF-2016 ranking (Protein–ligand binding affinity scoring)
Dataset: CASF-2016 ranking
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: K DEEP · 0.0001: CASF-2016 ranking
Coverage: scored: unreported; eligible: unreported
Uncertainty: Not reported
Evidence: Independent external evaluation · source checkedAK-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

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: K_DEEP reimplemented by AK-score authors in Keras 2.2.4 / TensorFlow 1.13.1; Table-specific network configuration; learning rate 0.0001
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.

Access requirements and official instructions: CASF-2016 ranking (Protein–ligand binding affinity scoring)

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

Claims, original sources and review scope · Release 2026-09-29-06401fd5b220
Property and statement	Original source and location	Review and provenance
Reported result 0.559 Individual claims	AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks Original source ↗ Table 2 (ijms-21-08424-t002), row 3 K DEEP, column 6: CASF-2016 ranking Predictive Index Version: version of record Retrieved: 2026-09-16T10:44:03.436853+00:00	source checked Primary-table transcription and separate automated source review · 2026-09-17 independent paper Audit details Source checked does not mean experimentally reproduced. Field: `attributes.printed_value` Source artifact SHA-256: `40cfd28dcd587599768ec99a6590ec593486475ff01c7b1d1f229b44aa91bf8d` Hash scope: Hash scope not separately documented; inspect source record Inspected artifact

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Sources and history

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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

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Technical metadata and extraction receipts

Stable ID: paper-result-5bc9b7cb53278a9249

areas: molecular-interactions
tasks: Protein–ligand binding affinity scoring
printed value: 0.559
numeric value: 0.559
metric: Predictive Index
metric direction: higher
unit: unitless
uncertainty: Not reported
eligible count: Not reported
scored count: Not reported
reported population: Not reported
source locator: Table 2 (ijms-21-08424-t002), row 3 K DEEP, column 6: CASF-2016 ranking Predictive Index
source occurrences: source id: akscore-2020; locator: Table 2 (ijms-21-08424-t002), row 3 K DEEP, column 6: CASF-2016 ranking Predictive Index
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

Related records

evaluation: K DEEP · 0.0001: CASF-2016 ranking

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