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PrMFTP: Multi-functional therapeutic peptides prediction based on multi-head self-attention mechanism and class weight optimization

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Prediction of therapeutic peptide is a significant step for the discovery of promising therapeutic drugs. Most of the existing studies have focused on the mono-functional therapeutic peptide prediction. However, the… Click to show full abstract

Prediction of therapeutic peptide is a significant step for the discovery of promising therapeutic drugs. Most of the existing studies have focused on the mono-functional therapeutic peptide prediction. However, the number of multi-functional therapeutic peptides (MFTP) is growing rapidly, which requires new computational schemes to be proposed to facilitate MFTP discovery. In this study, based on multi-head self-attention mechanism and class weight optimization algorithm, we propose a novel model called PrMFTP for MFTP prediction. PrMFTP exploits multi-scale convolutional neural network, bi-directional long short-term memory, and multi-head self-attention mechanisms to fully extract and learn informative features of peptide sequence to predict MFTP. In addition, we design a class weight optimization scheme to address the problem of label imbalanced data. Comprehensive evaluation demonstrate that PrMFTP is superior to other state-of-the-art computational methods for predicting MFTP. We provide a user-friendly web server of PrMFTP, which is available at http://bioinfo.ahu.edu.cn/PrMFTP.

Keywords: head self; functional therapeutic; self attention; multi head; prediction; prmftp

Journal Title: PLoS Computational Biology
Year Published: 2022

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