result · source checked
0.79 Pearson R
PMF + ECFP + PF (LightGBM) · Pearson R · Fingerprint-scoring benchmark
- Tested model
- PMF + ECFP + PF (LightGBM)
- Task or benchmark
- Protein–ligand binding energy prediction
- Dataset
- Fingerprint-scoring benchmark
- Procedure
- Binding-energy model using ligand and protein fingerprints with LightGBM.
- Evaluation
- PMF + ECFP + PF (LightGBM): Protein–ligand binding energy prediction
- Evidence
- Author-reported evaluation · source checkedMachine-Learning- and Knowledge-Based Scoring Functions Incorporating Ligand and Protein Fingerprints · Table 1, PMF + ECFP + PF / LightGBM row, 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.
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 |
|---|---|---|
| PMF + ECFP + PF (LightGBM): Protein–ligand binding energy prediction Model: PMF + ECFP + PF (LightGBM) · Benchmark: Protein–ligand binding energy prediction · Dataset: Fingerprint-scoring benchmark Binding-energy model using ligand and protein fingerprints with LightGBM. Author-reported evaluation · Evaluation metadata: needs review | ||
| 0.79 Pearson R Unit: unitless · Direction: unknown | Uncertainty: not reported in legacy extract Scored: Not reported · Eligible: Not reported | source checkedMachine-Learning- and Knowledge-Based Scoring Functions Incorporating Ligand and Protein Fingerprints · Table 1, PMF + ECFP + PF / LightGBM row, R column Source checking is not independent reproduction. |
Sources and history
Release 2026-09-16-d74d282221a9 · Record review: source checked
- Machine-Learning- and Knowledge-Based Scoring Functions Incorporating Ligand and Protein Fingerprints · Original source · PMC archival version PMC9178954.1
Technical metadata and extraction receipts
Stable ID: lit-b3-050
- areas
- molecular-interactions
- tasks
- Protein–ligand binding energy prediction
- printed value
- 0.79
- numeric value
- 0.79
- metric
- Pearson R
- metric direction
- unknown
- unit
- unitless
- uncertainty
- Not reported
- source locator
- Table 1, PMF + ECFP + PF / LightGBM row, R column
- review
- method: independent_ai_table_review; reviewer: Codex omics research agent; independent source-table review, not human review; reviewed at: 2026-09-16T10:44:03.439460+00:00; notes: Resolved two-row model rowspan: last LightGBM row is PMF+ECFP+PF; first LASSO row is PMF. Pearson R, not RMSE. Source check verifies central value and table context, not experiment reproduction or all metadata.; evidence: {"table_xml_id": "tbl1", "row_cells": ["LightGBM", "0.79", "1.64"], "selected_cell_zero_based": 1, "selected_cell_xml": "<td style=\"border:none;\" align=\"char\" char=\".\" colspan=\"1\" rowspan=\"1\">0.79</td>", "caption": "Pearson Correlation Coefficient (R) and RMSE between the Experimental Values and the Predicted Values by the Newly Developed Scoring Functions"}; artifact sha256: 47bd60c6392b801095fdb604de06c0d4bda6f555bae58e9955e491a5abf60576; retrieval url: https://www.ebi.ac.uk/europepmc/webservices/rest/PMC9178954/fullTextXML
- legacy id
- lit-b3-050
- legacy row
- id: lit-b3-050; paper id: fingerprint-scoring-2022; domain id: molecular-interactions; task: Protein–ligand binding energy prediction; model: PMF + ECFP + PF (LightGBM); model version: Not reported; dataset: Fingerprint-scoring benchmark; dataset version: Not reported; split: Not reported; metric: Pearson R; value: 0.79; unit: unitless; uncertainty: Not reported; protocol: Binding-energy model using ligand and protein fingerprints with LightGBM.; source locator: Table 1, PMF + ECFP + PF / LightGBM row, R column; source url: https://pmc.ncbi.nlm.nih.gov/articles/PMC9178954/; evaluation origin: author_reported; reviewed utc: 2026-09-15T23:29:32Z
- missing metadata
- model version: not_reported_in_legacy_extract; dataset version: not_reported_in_legacy_extract; split: not_reported_in_legacy_extract; uncertainty: not_reported_in_legacy_extract