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深度学习在蛋白质内在无序预测中的应用

Deep learning in prediction of intrinsic disorder in proteins.

作者信息

Zhao Bi, Kurgan Lukasz

机构信息

Department of Computer Science, Virginia Commonwealth University, Richmond, VA 23284, USA.

出版信息

Comput Struct Biotechnol J. 2022 Mar 8;20:1286-1294. doi: 10.1016/j.csbj.2022.03.003. eCollection 2022.

Abstract

Intrinsic disorder prediction is an active area that has developed over 100 predictors. We identify and investigate a recent trend towards the development of deep neural network (DNN)-based methods. The first DNN-based method was released in 2013 and since 2019 deep learners account for majority of the new disorder predictors. We find that the 13 currently available DNN-based predictors are diverse in their topologies, sizes of their networks and the inputs that they utilize. We empirically show that the deep learners are statistically more accurate than other types of disorder predictors using the blind test dataset from the recent community assessment of intrinsic disorder predictions (CAID). We also identify several well-rounded DNN-based predictors that are accurate, fast and/or conveniently available. The popularity, favorable predictive performance and architectural flexibility suggest that deep networks are likely to fuel the development of future disordered predictors. Novel hybrid designs of deep networks could be used to adequately accommodate for diversity of types and flavors of intrinsic disorder. We also discuss scarcity of the DNN-based methods for the prediction of disordered binding regions and the need to develop more accurate methods for this prediction.

摘要

内在无序预测是一个活跃的领域,已经开发出了100多种预测器。我们识别并研究了最近基于深度神经网络(DNN)方法发展的趋势。第一种基于DNN的方法于2013年发布,自2019年以来,深度学习器占新的无序预测器的大多数。我们发现,目前可用的13种基于DNN的预测器在拓扑结构、网络大小和所使用的输入方面各不相同。我们通过使用来自最近内在无序预测社区评估(CAID)的盲测数据集,从经验上表明,深度学习器在统计上比其他类型的无序预测器更准确。我们还确定了几个全面的基于DNN的预测器,它们准确、快速和/或方便获取。其受欢迎程度、良好的预测性能和架构灵活性表明,深度网络可能会推动未来无序预测器的发展。深度网络的新型混合设计可用于充分适应内在无序的类型和特点的多样性。我们还讨论了基于DNN的方法在预测无序结合区域方面的不足,以及开发更准确的预测方法的必要性。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9129/8927795/fb7bbfd0c7df/ga1.jpg

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