arXivDaily arXiv每日学术速递 周一至周五更新
arXiv 2009.10380cs.LGstat.ML
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PS8-Net:一个预测八态蛋白质二级结构的深度卷积神经网络

PS8-Net: A Deep Convolutional Neural Network to Predict the Eight-State Protein Secondary Structure

University of Ottawa(渥太华大学)

Md Aminur Rab Ratul, Maryam Tavakol Elahi, M. Hamed Mozaffari, WonSook Lee

摘要:

蛋白质的二级结构对于在一级和三级(3D)结构之间建立信息桥梁至关重要。蛋白质八态二级结构的精确预测在生物信息学的蛋白质结构和功能分析中有着重要的应用。近年来,深度学习技术在蛋白质二级结构预测中得到了应用,并显著提高了八态蛋白质二级结构的预测精度。然而,从理论的角度来看,仍然有很多改进的空间,特别是在八态PSS预测。在这项研究中,我们提出了一种新的深度卷积神经网络(DCNN),即PS 8-Net,以提高八类PSS预测的准确性。该架构的输入是根据蛋白质序列特征和图谱特征精心构建的特征矩阵。我们在网络中引入了一个新的PS 8模块,该模块采用跳过连接来提取高层的长期相互依赖关系,获得早期层的局部上下文,并在二级结构预测过程中获得全局信息。我们提出的PS 8-Net在基准CullPdb 6133,CB 513,CASP 10和CASP 11数据集上分别实现了76.89%,71.94%,76.86%和75.26%的Q8准确率。这种架构能够有效处理氨基酸之间的局部和全局相互依赖性,以准确预测每个类别。据我们所知,PS 8-Net的实验结果表明,它在上述基准数据集上的性能优于所有最先进的方法。

英文摘要:

Protein secondary structure is crucial to creating an information bridge between the primary and tertiary (3D) structures. Precise prediction of eight-state protein secondary structure (PSS) has significantly utilized in the structural and functional analysis of proteins in bioinformatics. Deep learning techniques have been recently applied in this research area and raised the eight-state (Q8) protein secondary structure prediction accuracy remarkably. Nevertheless, from a theoretical standpoint, there are still lots of rooms for improvement, specifically in the eight-state PSS prediction. In this study, we have presented a new deep convolutional neural network (DCNN), namely PS8-Net, to enhance the accuracy of eight-class PSS prediction. The input of this architecture is a carefully constructed feature matrix from the proteins sequence features and profile features. We introduce a new PS8 module in the network, which is applied with skip connection to extracting the long-term inter-dependencies from higher layers, obtaining local contexts in earlier layers, and achieving global information during secondary structure prediction. Our proposed PS8-Net achieves 76.89%, 71.94%, 76.86%, and 75.26% Q8 accuracy respectively on benchmark CullPdb6133, CB513, CASP10, and CASP11 datasets. This architecture enables the efficient processing of local and global interdependencies between amino acids to make an accurate prediction of each class. To the best of our knowledge, PS8-Net experiment results demonstrate that it outperforms all the state-of-the-art methods on the aforementioned benchmark datasets.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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