Result

0.812 Pearson R

AK-score-ensemble · Pearson R · CASF-2016

Tested configuration: AK-score-ensemble
Protocol: CASF-2016 scoring (Protein–ligand binding affinity scoring)
Dataset: CASF-2016
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: Protein–ligand binding affinity scoring
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 2, AK-score-ensemble / learning rate 0.0007 row, Scoring Pearson (R) column

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.

Access requirements and official instructions: CASF-2016 scoring (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

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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.

2 evidence rows 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
attributes.metric_direction higher 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 11 AK-score-ensemble, column 3: CASF-2016 scoring Pearson R Version: version of record Retrieved: 2026-09-16T10:44:03.436853+00:00	source checked automated source review · 2026-09-17 author reported Audit details Field: `attributes.metric_direction` Claim: paper-claim-aff74b794798055730 Source artifact SHA-256: `40cfd28dcd587599768ec99a6590ec593486475ff01c7b1d1f229b44aa91bf8d` Hash scope: Hash scope not separately documented; inspect source record Inspected artifact
attributes.printed_value 0.812 Individual claims	AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks Original source ↗ Table 2, AK-score-ensemble / learning rate 0.0007 row, Scoring Pearson (R) column Version: version of record Retrieved: 2026-09-16T10:44:03.436853+00:00	source checked independent ai table review · 2026-09-16T10:44:03.436853+00:00 author reported Audit details CASF-2016 scoring Pearson R with learning rate0.0007. Single-model versus ensemble blocks kept distinct; ranking/docking scores not substituted. Source check verifies central value and table context, not experiment reproduction or all metadata. Field: `attributes.printed_value` Claim: claim-lit-b3-048 Source artifact SHA-256: `40cfd28dcd587599768ec99a6590ec593486475ff01c7b1d1f229b44aa91bf8d` Hash scope: Hash scope not separately documented; inspect source record Inspected artifact Extraction artifact SHA-256: `40cfd28dcd587599768ec99a6590ec593486475ff01c7b1d1f229b44aa91bf8d` Extraction 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: lit-b3-048

areas: molecular-interactions
tasks: Protein–ligand binding affinity scoring
printed value: 0.812
numeric value: 0.812
metric: Pearson R
metric direction: higher
unit: unitless
uncertainty: Not reported
source locator: Table 2, AK-score-ensemble / learning rate 0.0007 row, Scoring Pearson (R) column
review: method: independent_ai_table_review; reviewer: Codex omics research agent; independent source-table review, not human review; reviewed at: 2026-09-16T10:44:03.436853+00:00; notes: CASF-2016 scoring Pearson R with learning rate0.0007. Single-model versus ensemble blocks kept distinct; ranking/docking scores not substituted. Source check verifies central value and table context, not experiment reproduction or all metadata.; evidence: {"table_xml_id": "ijms-21-08424-t002", "row_cells": ["AK-score-ensemble", "0.0007", "0.812", "0.670", "0.589", "0.698", "36.0", "51.4", "59.7"], "selected_cell_zero_based": 2, "selected_cell_xml": "<td align=\"center\" valign=\"middle\" style=\"border-bottom:solid thin\" rowspan=\"1\" colspan=\"1\">\n<bold>0.812</bold>\n</td>", "caption": "A comparison of prediction accuracy with the CASF-2016 dataset."}; artifact sha256: 40cfd28dcd587599768ec99a6590ec593486475ff01c7b1d1f229b44aa91bf8d; retrieval url: https://www.ebi.ac.uk/europepmc/webservices/rest/PMC7697539/fullTextXML
legacy id: lit-b3-048
legacy row: id: lit-b3-048; paper id: akscore-2020; domain id: molecular-interactions; task: Protein–ligand binding affinity scoring; model: AK-score-ensemble; model version: ensemble; learning rate 0.0007; dataset: CASF-2016; dataset version: Not reported; split: Not reported; metric: Pearson R; value: 0.812; unit: unitless; uncertainty: Not reported; protocol: CASF-2016 scoring-power evaluation.; source locator: Table 2, AK-score-ensemble / learning rate 0.0007 row, Scoring Pearson (R) column; source url: https://pmc.ncbi.nlm.nih.gov/articles/PMC7697539/; evaluation origin: author_reported; reviewed utc: 2026-09-15T23:29:32Z
missing metadata: dataset version: not_reported_in_legacy_extract; split: not_reported_in_legacy_extract; uncertainty: not_reported_in_legacy_extract

Related records

evaluation: AK-score-ensemble: Protein–ligand binding affinity scoring
subject: Reported Pearson R for AK-score-ensemble
subject: AK-score-ensemble · Pearson R · CASF-2016: attributes.metric_direction

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