Integration of pre-trained protein language models with equivariant graph neural networks for peptide toxicity prediction

Integration of pre-trained protein language models with equivariant graph neural networks for peptide toxicity prediction

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 met...

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Bibliographic Details
Main Authors: Shihu Jiao, Xiucai Ye, Tetsuya Sakurai, Quan Zou, Wu Han, Chao Zhan
Format: Article
Language:English
Published: BMC 2025-07-01
Series:BMC Biology
Subjects:
Peptides
Toxicity
Structure
Protein language model
Equivariant graph neural networks
Online Access:https://doi.org/10.1186/s12915-025-02329-1
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