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DEEPre: sequence-based enzyme EC number prediction by deep learning

机译:DEEPre:通过深度学习预测基于序列的酶EC数

摘要

Annotation of enzyme function has a broad range of applications, such as metagenomics, industrial biotechnology, and diagnosis of enzyme deficiency-caused diseases. However, the time and resource required make it prohibitively expensive to experimentally determine the function of every enzyme. Therefore, computational enzyme function prediction has become increasingly important. In this paper, we develop such an approach, determining the enzyme function by predicting the Enzyme Commission number.We propose an end-to-end feature selection and classification model training approach, as well as an automatic and robust feature dimensionality uniformization method, DEEPre, in the field of enzyme function prediction. Instead of extracting manuallycrafted features from enzyme sequences, our model takes the raw sequence encoding as inputs, extracting convolutional and sequential features from the raw encoding based on the classification result to directly improve the prediction performance. The thorough cross-fold validation experiments conducted on two large-scale datasets show that DEEPre improves the prediction performance over the previous state-of-the-art methods. In addition, our server outperforms five other servers in determining the main class of enzymes on a separate low-homology dataset. Two case studies demonstrate DEEPre's ability to capture the functional difference of enzyme isoforms.The server could be accessed freely at http://www.cbrc.kaust.edu.sa/DEEPre.
机译:酶功能的注释具有广泛的应用,例如宏基因组学,工业生物技术和酶缺乏引起的疾病的诊断。但是,所需的时间和资源使实验确定每种酶的功能变得非常昂贵。因此,计算酶功能预测已变得越来越重要。在本文中,我们开发了一种通过预测酶委员会编号来确定酶功能的方法。我们提出了一种端到端特征选择和分类模型训练方法,以及一种自动且健壮的特征维数均匀化方法DEEPre ,在酶功能预测领域。我们的模型不是从酶序列中提取手工制作的特征,而是将原始序列编码作为输入,基于分类结果从原始编码中提取卷积和顺序特征,以直接提高预测性能。在两个大型数据集上进行的全面交叉验证实验表明,DEEPre与以前的最新方法相比提高了预测性能。此外,在确定单独的低同源性数据集上酶的主要类别时,我们的服务器优于其他五台服务器。两个案例研究表明DEEPre能够捕获酶同工型的功能差异。可从http://www.cbrc.kaust.edu.sa/DEEPre免费访问该服务器。

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