School of Computer and Computing Science, Zhejiang University City College, Hangzhou 310015, China.
College of Computer Science and Technology, Zhejiang University, Hangzhou 310007, China.
Molecules. 2022 Sep 19;27(18):6135. doi: 10.3390/molecules27186135.
Proteins are the fundamental biological macromolecules which underline practically all biological activities. Protein-protein interactions (PPIs), as they are known, are how proteins interact with other proteins in their environment to perform biological functions. Understanding PPIs reveals how cells behave and operate, such as the antigen recognition and signal transduction in the immune system. In the past decades, many computational methods have been developed to predict PPIs automatically, requiring less time and resources than experimental techniques. In this paper, we present a comparative study of various graph neural networks for protein-protein interaction prediction. Five network models are analyzed and compared, including neural networks (NN), graph convolutional neural networks (GCN), graph attention networks (GAT), hyperbolic neural networks (HNN), and hyperbolic graph convolutions (HGCN). By utilizing the protein sequence information, all of these models can predict the interaction between proteins. Fourteen PPI datasets are extracted and utilized to compare the prediction performance of all these methods. The experimental results show that hyperbolic graph neural networks tend to have a better performance than the other methods on the protein-related datasets.
蛋白质是构成所有生物活性的基本生物大分子。众所周知,蛋白质-蛋白质相互作用(PPIs)是蛋白质在其环境中与其他蛋白质相互作用以执行生物功能的方式。了解 PPIs 揭示了细胞的行为和运作方式,例如免疫系统中的抗原识别和信号转导。在过去的几十年中,已经开发了许多计算方法来自动预测 PPIs,这些方法比实验技术需要更少的时间和资源。在本文中,我们对用于蛋白质-蛋白质相互作用预测的各种图神经网络进行了比较研究。分析和比较了五种网络模型,包括神经网络(NN)、图卷积神经网络(GCN)、图注意力网络(GAT)、双曲神经网络(HNN)和双曲图卷积(HGCN)。通过利用蛋白质序列信息,所有这些模型都可以预测蛋白质之间的相互作用。提取了 14 个 PPI 数据集,用于比较所有这些方法的预测性能。实验结果表明,在蛋白质相关数据集上,双曲图神经网络的性能往往优于其他方法。