College of Computer Science and Technology, China University of Petroleum, Qingdao 266580, China.
School of Information and Control Engineering, Qingdao University of Technology, Qingdao 266520, China.
Biomolecules. 2021 Jul 29;11(8):1119. doi: 10.3390/biom11081119.
In the process of drug discovery, identifying the interaction between the protein and the novel compound plays an important role. With the development of technology, deep learning methods have shown excellent performance in various situations. However, the compound-protein interaction is complicated and the features extracted by most deep models are not comprehensive, which limits the performance to a certain extent. In this paper, we proposed a multiscale convolutional network that extracted the local and global features of the protein and the topological feature of the compound using different types of convolutional networks. The results showed that our model obtained the best performance compared with the existing deep learning methods.
在药物发现的过程中,确定蛋白质与新型化合物之间的相互作用起着重要作用。随着技术的发展,深度学习方法在各种情况下都表现出了优异的性能。然而,化合物-蛋白质的相互作用非常复杂,大多数深度学习模型提取的特征并不全面,这在一定程度上限制了其性能。在本文中,我们提出了一种多尺度卷积网络,该网络使用不同类型的卷积网络提取蛋白质的局部和全局特征以及化合物的拓扑特征。结果表明,与现有的深度学习方法相比,我们的模型获得了最佳的性能。