Drug–drug interaction prediction based on local substructure features and their complements.pdf 1.9M· 百度网盘 摘要 当多种药物共同给药来治疗共存或复杂的疾病时,药物的性质可能会发生变化,可能导致不可预见的药物相互作用(DDI)。因此,预测潜在的药物相互作用一直是药物研究的一项重要任务。然而,仍然存在以下挑战...
1.1 DDI prediction 1.2 Drug-drug graph 二、相关研究 三、Method :DSN-DDI 3.1 Overview 3.2 Drug representation learning 3.3 DSN decoder 3.4 Objective function 3.5 Datasets 3.6 Baselines 论文链接:academic.oup.com/bib/ar 代码链接:github.com/microsoft/Dr 关键词:drug-drug interaction, 图神经网络GNN 一...
论文解读:KGNN: Knowledge Graph Neural Network for Drug-Drug Interaction Prediction,程序员大本营,技术文章内容聚合第一站。
Drug-Drug Interaction (DDI) prediction is one of the most critical issues in drug development and health. Proposing appropriate computational methods for predicting unknown DDI with high precision is challenging. We proposed "NDD: Neural network-based method for drug-drug interaction prediction" for ...
The simultaneous administration of multiple drugs increases the probability of interaction among them, as one drug may affect the activities of others. This interaction among drugs may have a positive or negative impact on the therapeutic outcomes. Thus, identification of unknown drug-drug interactions...
Zhang, Y., Yao, Q., Yue, L.et al.Emerging drug interaction prediction enabled by a flow-based graph neural network with biomedical network.Nat Comput Sci3, 1023–1033 (2023). https://doi.org/10.1038/s43588-023-00558-4 Download citation ...
Given a DDI dataset D = GAGBiyii=1q of q drug pairs and a set of p interaction labels ⅈC=ciⅈ=1p, where (GA,GB)i is a pair of molecular graphs with the corresponding ground-truth label yi∈C. The goal of the DDI prediction task is to learn a function that can Datasets ...
Existing data-driven prediction approaches for DDIs typically rely on a single source of information, while using information from multiple sources would help improve predictions. Machine learning (ML) techniques are used, but the techniques are often unable to deal with skewness in the data. Hence...
Deep learning for drug-drug interaction prediction: A comprehensive review In accordance with the increasing amount of information concerning individual differences in drug response and molecular interaction, the role of in silico... X Li,Z Xiong,W Zhang,... - 定量生物学 被引量: 0发表: 2024年...
The study under discussion was a drug–drug interaction study in which the effect of ketoconazole, a potent CYP450 3A4 inhibitor, on the pharmacokinetics o... C Dutreix,B Peng,G Mehring,... - 《Cancer Chemotherapy & Pharmacology》 被引量: 190发表: 2004年 Prediction of pharmacokinetic drug-...