result · source checked
0.861 Pearson R
TOPBP (Complex) · Pearson R · PDBbind core v2016
- Tested model
- TOPBP (Complex)
- Task or benchmark
- Protein–ligand binding affinity prediction
- Dataset
- PDBbind core v2016
- Procedure
- Source table compiles a previously published comparator; protocol equivalence is not established.
- Evaluation
- TOPBP (Complex): Protein–ligand binding affinity prediction
- Evidence
- Result quoted from another source · source checkedDEELIG: A Deep Learning Approach to Predict Protein-Ligand Binding Affinity · Table 2, TOPBP (Complex) row, PDBbind v2016 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.
Evaluation results
Release 2026-09-16-d74d282221a9 · 1 evaluation · 1 metric row. Different protocols are not a single leaderboard.
| Metric and finding | Coverage and uncertainty | Evidence |
|---|---|---|
| TOPBP (Complex): Protein–ligand binding affinity prediction Model: TOPBP (Complex) · Benchmark: Protein–ligand binding affinity prediction · Dataset: PDBbind core v2016 Source table compiles a previously published comparator; protocol equivalence is not established. Result quoted from another source · Evaluation metadata: needs review | ||
| 0.861 Pearson R Unit: unitless · Direction: unknown | Uncertainty: not reported in legacy extract Scored: Not reported · Eligible: Not reported | source checkedDEELIG: A Deep Learning Approach to Predict Protein-Ligand Binding Affinity · Table 2, TOPBP (Complex) row, PDBbind v2016 column Source checking is not independent reproduction. |
Sources and history
Release 2026-09-16-d74d282221a9 · Record review: source checked
- DEELIG: A Deep Learning Approach to Predict Protein-Ligand Binding Affinity · Original source · PMC archival version PMC8274096.1
Technical metadata and extraction receipts
Stable ID: lit-b3-043
- areas
- molecular-interactions
- tasks
- Protein–ligand binding affinity prediction
- printed value
- 0.861
- numeric value
- 0.861
- metric
- Pearson R
- metric direction
- unknown
- unit
- unitless
- uncertainty
- Not reported
- source locator
- Table 2, TOPBP (Complex) row, PDBbind v2016 column
- review
- method: independent_ai_table_review; reviewer: Codex omics research agent; independent source-table review, not human review; reviewed at: 2026-09-16T10:44:03.429669+00:00; notes: TOPBP Complex reference row; PDBbind v2016 core-set Pearson correlation. Third-party comparator with cited reference; do not infer an independent new run from table inclusion. Source check verifies central value and table context, not experiment reproduction or all metadata.; evidence: {"table_xml_id": "table2-11779322211030364", "row_cells": ["TOPBP (Complex) 31", "0.808", "0.861"], "selected_cell_zero_based": 2, "selected_cell_xml": "<td rowspan=\"1\" colspan=\"1\">0.861</td>", "caption": "Pearson correlations coefficient on PDBbind core set."}; artifact sha256: 5a7620c18d0622561004e1e25b5cfaf7399e93df3547eeefdd4cf6d300bb8aba; retrieval url: https://www.ebi.ac.uk/europepmc/webservices/rest/PMC8274096/fullTextXML
- legacy id
- lit-b3-043
- legacy row
- id: lit-b3-043; paper id: deelig-2021; domain id: molecular-interactions; task: Protein–ligand binding affinity prediction; model: TOPBP (Complex); model version: Not reported; dataset: PDBbind core v2016; dataset version: v2016; split: Not reported; metric: Pearson R; value: 0.861; unit: unitless; uncertainty: Not reported; protocol: Source table compiles a previously published comparator; protocol equivalence is not established.; source locator: Table 2, TOPBP (Complex) row, PDBbind v2016 column; source url: https://pmc.ncbi.nlm.nih.gov/articles/PMC8274096/; evaluation origin: paper_compilation; reviewed utc: 2026-09-15T23:29:32Z
- missing metadata
- model version: not_reported_in_legacy_extract; split: not_reported_in_legacy_extract; uncertainty: not_reported_in_legacy_extract