SLAB: simultaneous labeling and binding affinity prediction for protein–ligand structures

Proposed SLAB framework. The structural data with its corresponding features are fed to a network module (SGNN and EGNN). The affinity predictor module and the label classifier take the network modules output to predict labels and binding affinity.

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Publication Details

Journal
Digital Discovery
Published
2025-12-03
DOI
https://doi.org/10.1039/d5dd00248f
Primary Topic
Machine Learning in Bioinformatics
Type
article
Field-Weighted Citation Impact
0.00

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article

SLAB: simultaneous labeling and binding affinity prediction for protein–ligand structures

Digital Discovery
Machine Learning in Bioinformatics
article

SLAB: simultaneous labeling and binding affinity prediction for protein–ligand structures

article en

Abstract

Proposed SLAB framework. The structural data with its corresponding features are fed to a network module (SGNN and EGNN). The affinity predictor module and the label classifier take the network modules output to predict labels and binding affinity.

Digital DiscoveryVol. 5(1)
Lawrence Livermore National Laboratory (US), Lawrence Livermore National Security (US)
U.S. Department of Energy, Defense Threat Reduction Agency, Lawrence Livermore National Laboratory
Zero hunger
Openalex Percentile: Top 42%
Machine Learning in Bioinformatics
DOIOpen Access PDFOpenAlex
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SLAB: simultaneous labeling and binding affinity prediction for protein–ligand structures · Digital Discovery (2025) | TGRS Research Map | TGRS