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 ...
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。
1.1 DDI prediction Given a set of triplets consisting of two drugs D and interaction types R , the DDI prediction can be formulated as a function f:D×R×D→[0,1] , where 1 indicates that a triplet (Di,R,Dj) of two drugs Di , Dj and an interaction type R exist and...
On the road to explainable AI in drug-drug interactions prediction: A systematic review 2022, Computational and Structural Biotechnology Journal Show abstract MDF-SA-DDI: Predicting drug-drug interaction events based on multi-source drug fusion, multi-source feature fusion and transformer self-attention...
(2007). Drug-drug interaction prediction: a Bayesian meta-analysis approach. Statistics in Medicine 26(20):3700-3721.Li, L., Yu, M., Chin, R., Lucksiri, A., Flockhart, D., and Hall, S. (2006). Drug-Drug Interaction Prediction: A Bayesian Meta-Analysis Approach. Statistics in ...
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 ...
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...
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 ...
This is the code repo with model and materials for the corresponding work: Drug-Drug Interaction Prediction on a Biomedical Literature Knowledge Graph presented in AIME2020.Our model is based on extracting the semantic paths that connect two drug nodes in a KG. The KG is disease-specific and ...
Prediction of drug-drug interaction (DDI) is one of the vital topics in drug development. Many computational methods have been present for DDI prediction. However, these methods are often limited to exploiting the drug’s molecular structure and ignoring