Result

0.79 Pearson R

PMF + ECFP + PF (LightGBM) · Pearson R · Fingerprint-scoring benchmark

Tested configuration: PMF + ECFP + PF (LightGBM)
Task: 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
Coverage: scored: unreported; eligible: unreported
Uncertainty: Not reported
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.

Reproduction

Split: Not reported
Adaptation: Not reported
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: Protein–ligand binding energy prediction

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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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
attributes.printed_value 0.79 Individual claims	Machine-Learning- and Knowledge-Based Scoring Functions Incorporating Ligand and Protein Fingerprints Original source ↗ Table 1, PMF + ECFP + PF / LightGBM row, R column Version: PMC archival version PMC9178954.1 Retrieved: 2026-09-16T10:44:03.439460+00:00	source checked independent ai table review · 2026-09-16T10:44:03.439460+00:00 author reported Audit details 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. Field: `attributes.printed_value` Claim: claim-lit-b3-050 Source artifact SHA-256: `47bd60c6392b801095fdb604de06c0d4bda6f555bae58e9955e491a5abf60576` Hash scope: Hash scope not separately documented; inspect source record Inspected artifact Extraction artifact SHA-256: `47bd60c6392b801095fdb604de06c0d4bda6f555bae58e9955e491a5abf60576` 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

Machine-Learning- and Knowledge-Based Scoring Functions Incorporating Ligand and Protein Fingerprints · Original source · PMC archival version PMC9178954.1

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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

Related records

evaluation: PMF + ECFP + PF (LightGBM): Protein–ligand binding energy prediction
subject: Reported Pearson R for PMF + ECFP + PF (LightGBM)

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