ACP-PDAFF:用于抗癌肽预测的预训练模型和双通道注意特征融合

IF 2.6 4区 生物学 Q2 BIOLOGY Computational Biology and Chemistry Pub Date : 2024-07-03 DOI:10.1016/j.compbiolchem.2024.108141
Xinyi Wang, Shunfang Wang
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引用次数: 0

摘要

抗癌肽(ACPs)能够选择性地杀死癌细胞而不损伤正常细胞,因此作为一种治疗癌症的新方法引起了人们的极大兴趣。许多基于人工智能的方法在预测抗癌肽方面表现出色。然而,现有特征工程方法的局限性包括由先验知识驱动的手工特征、特征提取不足以及特征融合效率低下。在本研究中,我们提出了一种基于预训练模型和双通道注意特征融合(DAFF)的模型,称为 ACP-PDAFF。首先,为了减少对基于专家知识的手工特征的严重依赖,二元轮廓特征(BPF)和理化性质特征(PCPF)被用作变压器模型的输入。其次,为了学习更多样化的 ACP 特征信息,使用了预训练模型 ProtBert。第三,为了更好地融合不同的特征通道,使用了 DAFF。最后,为了评估模型的性能,我们在五个基准数据集上与其他方法进行了比较,包括 ACP-Mixed-80 数据集、AntiCP 2.0 的主数据集和备用数据集、LEE 和 Independet 数据集以及 ACPred-Fuse 数据集。ACP-PDAFF在五个数据集上的准确率分别为0.86、0.80、0.94、0.97和0.95,比现有方法高出1%到12%。因此,通过学习丰富的特征信息并有效融合不同的特征通道,ACD-PDAFF 取得了出色的性能。我们的代码和数据集见 https://github.com/wongsing/ACP-PDAFF。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

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ACP-PDAFF: Pretrained model and dual-channel attentional feature fusion for anticancer peptides prediction

Anticancer peptides(ACPs) have attracted significant interest as a novel method of treating cancer due to their ability to selectively kill cancer cells without damaging normal cells. Many artificial intelligence-based methods have demonstrated impressive performance in predicting ACPs. Nevertheless, the limitations of existing methods in feature engineering include handcrafted features driven by prior knowledge, insufficient feature extraction, and inefficient feature fusion. In this study, we propose a model based on a pretrained model, and dual-channel attentional feature fusion(DAFF), called ACP-PDAFF. Firstly, to reduce the heavy dependence on expert knowledge-based handcrafted features, binary profile features (BPF) and physicochemical properties features(PCPF) are used as inputs to the transformer model. Secondly, aimed at learning more diverse feature informations of ACPs, a pretrained model ProtBert is utilized. Thirdly, for better fusion of different feature channels, DAFF is employed. Finally, to evaluate the performance of the model, we compare it with other methods on five benchmark datasets, including ACP-Mixed-80 dataset, Main and Alternate datasets of AntiCP 2.0, LEE and Independet dataset, and ACPred-Fuse dataset. And the accuracies obtained by ACP-PDAFF are 0.86, 0.80, 0.94, 0.97 and 0.95 on five datasets, respectively, higher than existing methods by 1% to 12%. Therefore, by learning rich feature informations and effectively fusing different feature channels, ACD-PDAFF achieves outstanding performance. Our code and the datasets are available at https://github.com/wongsing/ACP-PDAFF.

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来源期刊
Computational Biology and Chemistry
Computational Biology and Chemistry 生物-计算机:跨学科应用
CiteScore
6.10
自引率
3.20%
发文量
142
审稿时长
24 days
期刊介绍: Computational Biology and Chemistry publishes original research papers and review articles in all areas of computational life sciences. High quality research contributions with a major computational component in the areas of nucleic acid and protein sequence research, molecular evolution, molecular genetics (functional genomics and proteomics), theory and practice of either biology-specific or chemical-biology-specific modeling, and structural biology of nucleic acids and proteins are particularly welcome. Exceptionally high quality research work in bioinformatics, systems biology, ecology, computational pharmacology, metabolism, biomedical engineering, epidemiology, and statistical genetics will also be considered. Given their inherent uncertainty, protein modeling and molecular docking studies should be thoroughly validated. In the absence of experimental results for validation, the use of molecular dynamics simulations along with detailed free energy calculations, for example, should be used as complementary techniques to support the major conclusions. Submissions of premature modeling exercises without additional biological insights will not be considered. Review articles will generally be commissioned by the editors and should not be submitted to the journal without explicit invitation. However prospective authors are welcome to send a brief (one to three pages) synopsis, which will be evaluated by the editors.
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