Suppr超能文献

基于深度学习的药物-靶点相互作用的消栓通络方抗中风网络药理学预测。

Antistroke Network Pharmacological Prediction of Xiaoshuan Tongluo Recipe Based on Drug-Target Interaction Based on Deep Learning.

机构信息

School of Chemistry and Pharmaceutical Engineering Chongqing Industry Polytechnic College, Chongqing 401120, China.

出版信息

Comput Math Methods Med. 2022 Aug 2;2022:6095964. doi: 10.1155/2022/6095964. eCollection 2022.

Abstract

Stroke is a common cerebrovascular disease that threatens human health, and the search for therapeutic drugs is the key to treatment. New drug discovery was driven by many accidental factors in the early stage. With the deepening of research, disease-related target discovery and computer-aided drug design constitute a more rational drug discovery process. The deep learning model was constructed by using recurrent neural network, and then, the classification and prediction of compound-protein interactions were studied. In this study, the network pharmacological prediction of stroke based on deep learning is obtained. (1) In the case of discrete time, a distributed optimization algorithm with finite time convergence is applied. A distributed exact first-order algorithm for the case where the objective function is smooth. On the basis of the DGD algorithm, an additional cumulative correction term is added to correct the error caused by the fixed step size of DGD. Solve multiple optimization problems with equality constraints by using Lagrangian functions. Alternately update the original variable and the dual variable to get the solution of a large global problem. It converges to the optimal solution in an asymptotic or exponential way; that is, the node can reach the optimal solution more accurately when the time tends to infinity. (2) Deep learning, also sometimes called representation learning, has a set of algorithms that can automatically discover the desired classification or detection by feeding it into a machine using raw datasets. Multiple levels of abstraction are abstracted through the use of nonlinear models. This simplifies finding solutions to complex and nonlinear functions. Based on the automatic learning function, it provides the functions of modularization and transfer learning. Deep architectures, which usually contain hidden layers, differ from traditional machine learning, which requires a large amount of data to train the network. There are many levels of modules that are nonlinear and transform the information present on the first level into higher levels which are more abstract in nature and are basically used for feature extraction and transformation. (3) The accuracy rate of the framework based on the multitask deep learning algorithm is 91.73%, and the recall rate reaches 96.13%. The final model was predicted and analyzed using real sample data. In the inference problem, it has the advantages of fast training and low cost; in the generation problem, it also has the advantages of fast training, high stability, high diversity, and high quality of image reconstruction.

摘要

中风是一种常见的脑血管疾病,威胁着人类的健康,寻找治疗药物是治疗的关键。新药的发现早期受到许多偶然因素的驱动。随着研究的深入,疾病相关靶点的发现和计算机辅助药物设计构成了一个更合理的药物发现过程。利用递归神经网络构建深度学习模型,研究化合物-蛋白质相互作用的分类和预测。本研究基于深度学习获得中风的网络药理学预测。(1)在离散时间的情况下,应用具有有限时间收敛的分布式优化算法。针对目标函数是光滑的情况,提出了一种分布式精确一阶算法。在 DGD 算法的基础上,增加了一个累积修正项,以修正 DGD 固定步长引起的误差。利用拉格朗日函数求解具有等式约束的多个优化问题。交替更新原变量和对偶变量,得到大全局问题的解。它以渐近或指数方式收敛到最优解,即当时间趋于无穷大时,节点可以更准确地达到最优解。(2)深度学习,有时也称为表示学习,它有一组算法,可以通过将原始数据集输入机器来自动发现所需的分类或检测。通过使用非线性模型,抽象出多个层次的抽象。这简化了对复杂和非线性函数的求解。基于自动学习功能,它提供了模块化和迁移学习的功能。深度架构通常包含隐藏层,与传统的机器学习不同,它需要大量的数据来训练网络。有许多模块层次是非线性的,并将第一层上的信息转换为更高级别的信息,这些信息在本质上更抽象,主要用于特征提取和转换。(3)基于多任务深度学习算法的框架的准确率为 91.73%,召回率达到 96.13%。最终模型使用真实样本数据进行预测和分析。在推理问题中,它具有训练速度快、成本低的优点;在生成问题中,它也具有训练速度快、稳定性高、多样性高、图像重建质量高的优点。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5439/9363221/f7564cd6b95c/CMMM2022-6095964.001.jpg

相似文献

2
Deep convolutional neural network and IoT technology for healthcare.用于医疗保健的深度卷积神经网络和物联网技术。
Digit Health. 2024 Jan 17;10:20552076231220123. doi: 10.1177/20552076231220123. eCollection 2024 Jan-Dec.

本文引用的文献

文献AI研究员

20分钟写一篇综述,助力文献阅读效率提升50倍。

立即体验

用中文搜PubMed

大模型驱动的PubMed中文搜索引擎

马上搜索

文档翻译

学术文献翻译模型,支持多种主流文档格式。

立即体验