UniBioPAN: A Novel Universal Classification Architecture for Bioactive Peptides Inspired by Video Action Recognition.

IF 5.6 2区 化学 Q1 CHEMISTRY, MEDICINAL Journal of Chemical Information and Modeling Pub Date : 2024-12-23 Epub Date: 2024-11-21 DOI:10.1021/acs.jcim.4c01599
Ruihong Wang, Xiao Liang, Yi Zhao, Wenjun Xue, Guizhao Liang
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Abstract

The classification of bioactive peptides is of great importance in protein biology, but there is still a lack of a universal and effective classifier. Inspired by video action recognition, we developed the UniBioPAN architecture to create a universal peptide classifier to solve this problem. The architecture treats the peptide sequence as a video sequence and the molecular image of each amino acid in the peptide sequence as a video frame, enabling feature extraction and classification using convolutional neural networks, bidirectional long short-term memory networks, and fully connected networks. As a novel peptide classification architecture, UniBioPAN significantly outperforms other universal architecture in ACC, AUC and MCC across 11 data sets, and F1 score in 9 data sets. UniBioPAN is available in three ways: python script, jupyter notebook script and web server (https://gzliang.cqu.edu.cn/software/UniBioPAN.html). In summary, UniBioPAN is a universal, convenient, and high-performance peptide classification architecture. UniBioPAN holds significant importance in the discovery of bioactive peptides and the advancement of peptide classifiers. All the codes and data sets are publicly available at https://github.com/sanwrh/UniBioPAN.

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UniBioPAN:受视频动作识别启发的新型生物活性肽通用分类架构。
生物活性肽的分类在蛋白质生物学中具有重要意义,但目前仍缺乏通用而有效的分类器。受视频动作识别的启发,我们开发了 UniBioPAN 架构,以创建通用的多肽分类器来解决这一问题。该架构将肽序列视为视频序列,将肽序列中每个氨基酸的分子图像视为视频帧,利用卷积神经网络、双向长短期记忆网络和全连接网络实现特征提取和分类。作为一种新颖的多肽分类架构,UniBioPAN 在 11 个数据集的 ACC、AUC 和 MCC 以及 9 个数据集的 F1 分数方面均显著优于其他通用架构。UniBioPAN 有三种可用方式:python 脚本、jupyter 笔记本脚本和网络服务器 (https://gzliang.cqu.edu.cn/software/UniBioPAN.html)。总之,UniBioPAN 是一种通用、便捷、高性能的多肽分类架构。UniBioPAN 对生物活性肽的发现和肽分类器的发展具有重要意义。所有代码和数据集均可在 https://github.com/sanwrh/UniBioPAN 上公开获取。
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来源期刊
CiteScore
9.80
自引率
10.70%
发文量
529
审稿时长
1.4 months
期刊介绍: The Journal of Chemical Information and Modeling publishes papers reporting new methodology and/or important applications in the fields of chemical informatics and molecular modeling. Specific topics include the representation and computer-based searching of chemical databases, molecular modeling, computer-aided molecular design of new materials, catalysts, or ligands, development of new computational methods or efficient algorithms for chemical software, and biopharmaceutical chemistry including analyses of biological activity and other issues related to drug discovery. Astute chemists, computer scientists, and information specialists look to this monthly’s insightful research studies, programming innovations, and software reviews to keep current with advances in this integral, multidisciplinary field. As a subscriber you’ll stay abreast of database search systems, use of graph theory in chemical problems, substructure search systems, pattern recognition and clustering, analysis of chemical and physical data, molecular modeling, graphics and natural language interfaces, bibliometric and citation analysis, and synthesis design and reactions databases.
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