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 pre-trained protein language model


AmpLyze: A Deep Learning Model for Predicting the Hemolytic Concentration

arXiv.org Artificial Intelligence

Red-blood-cell lysis (HC50) is the principal safety barrier for antimicrobial-peptide (AMP) therapeutics, yet existing models only say "toxic" or "non-toxic." AmpLyze closes this gap by predicting the actual HC50 value from sequence alone and explaining the residues that drive toxicity. The model couples residue-level ProtT5/ESM2 embeddings with sequence-level descriptors in dual local and global branches, aligned by a cross-attention module and trained with log-cosh loss for robustness to assay noise. The optimal AmpLyze model reaches a PCC of 0.756 and an MSE of 0.987, outperforming classical regressors and the state-of-the-art. Ablations confirm that both branches are essential, and cross-attention adds a further 1% PCC and 3% MSE improvement. Expected-Gradients attributions reveal known toxicity hotspots and suggest safer substitutions. By turning hemolysis assessment into a quantitative, sequence-based, and interpretable prediction, AmpLyze facilitates AMP design and offers a practical tool for early-stage toxicity screening.


pLMFPPred: a novel approach for accurate prediction of functional peptides integrating embedding from pre-trained protein language model and imbalanced learning

arXiv.org Artificial Intelligence

Functional peptides have the potential to treat a variety of diseases. Their good therapeutic efficacy and low toxicity make them ideal therapeutic agents. Artificial intelligence-based computational strategies can help quickly identify new functional peptides from collections of protein sequences and discover their different functions.Using protein language model-based embeddings (ESM-2), we developed a tool called pLMFPPred (Protein Language Model-based Functional Peptide Predictor) for predicting functional peptides and identifying toxic peptides. We also introduced SMOTE-TOMEK data synthesis sampling and Shapley value-based feature selection techniques to relieve data imbalance issues and reduce computational costs. On a validated independent test set, pLMFPPred achieved accuracy, Area under the curve - Receiver Operating Characteristics, and F1-Score values of 0.974, 0.99, and 0.974, respectively. Comparative experiments show that pLMFPPred outperforms current methods for predicting functional peptides.The experimental results suggest that the proposed method (pLMFPPred) can provide better performance in terms of Accuracy, Area under the curve - Receiver Operating Characteristics, and F1-Score than existing methods. pLMFPPred has achieved good performance in predicting functional peptides and represents a new computational method for predicting functional peptides.