Integration of pre-trained protein language models with equivariant graph neural networks for peptide toxicity prediction.
Journal:
BMC biology
Published Date:
Jul 28, 2025
Abstract
BACKGROUND: Peptide-based therapeutics have great potential due to their versatility, high specificity, and suitability for a variety of therapeutic applications. Despite these advantages, the inherent toxicities of some peptides pose challenges in drug development. Several computational methods have been developed to allow rapid and efficient large-scale screening of peptide toxicity. However, these methods mainly rely on the primary sequence and often ignore critical structural information, which limits their predictive accuracy.
