ConPep: Prediction of peptide contact maps with pre-trained biological language model and multi-view feature extracting strategy

计算机科学 人工智能 稳健性(进化) 机器学习 序列(生物学) 模式识别(心理学) 数据挖掘 遗传学 生物化学 生物 基因 化学
作者
Qingxin Wei,Ruheng Wang,Yi Jiang,Leyi Wei,Yu Sun,Jie Geng,Ran Su
出处
期刊:Computers in Biology and Medicine [Elsevier BV]
卷期号:167: 107631-107631 被引量:6
标识
DOI:10.1016/j.compbiomed.2023.107631
摘要

The accurate prediction of peptide contact maps remains a challenging task due to the difficulty in obtaining the interactive information between residues on short sequences. To address this challenge, we propose ConPep, a deep learning framework designed for predicting the contact map of peptides based on sequences only. To sufficiently incorporate the sequential semantic information between residues in peptide sequences, we use a pre-trained biological language model and transfer prior knowledge from large scale databases. Additionally, to extract and integrate sequential local information and residue-based global correlations, our model incorporates Bidirectional Gated Recurrent Unit and attention mechanisms. They can obtain multi-view features and thus enhance the accuracy and robustness of our prediction. Comparative results on independent tests demonstrate that our proposed method significantly outperforms state-of-the-art methods even with short peptides. Notably, our method exhibits superior performance at the sequence level, suggesting the robust ability of our model compared with the multiple sequence alignment (MSA) analysis-based methods. We expect it can be meaningful research for facilitating the wide use of our method.
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