相关论文: Tri-graph Information Propagation for Polypharmacy…

Representation learning on graphs that evolve has recently received significant attention due to its wide application scenarios, such as bioinformatics, knowledge graphs, and social networks. The propagation of information in graphs is…

Relation-aware graph structure embedding is promising for predicting multi-relational drug-drug interactions (DDIs). Typically, most existing methods begin by constructing a multi-relational DDI graph and then learning relation-aware graph…

More and more large data collections are gathered worldwide in various IT systems. Many of them possess the networked nature and need to be processed and analysed as graph structures. Due to their size they require very often usage of…

Drug recommendation assists doctors in prescribing personalized medications to patients based on their health conditions. Existing drug recommendation solutions adopt the supervised multi-label classification setup and only work with…

Graph neural network models have been extensively used to learn node representations for graph structured data in an end-to-end setting. These models often rely on localized first order approximations of spectral graph convolutions and…

Recent 2D-to-3D human pose estimation works tend to utilize the graph structure formed by the topology of the human skeleton. However, we argue that this skeletal topology is too sparse to reflect the body structure and suffer from serious…

Drug discovery (DD) has tremendously contributed to maintaining and improving public health. Hypothesizing that inhibiting protein misfolding can slow disease progression, researchers focus on target identification (Target ID) to find…

Graph neural networks have shown superior performance in a wide range of applications providing a powerful representation of graph-structured data. Recent works show that the representation can be further improved by auxiliary tasks.…

In the last decades, people have been consuming and combining more drugs than before, increasing the number of Drug-Drug Interactions (DDIs). To predict unknown DDIs, recently, studies started incorporating Knowledge Graphs (KGs) since they…

3D human pose estimation is a difficult task, due to challenges such as occluded body parts and ambiguous poses. Graph convolutional networks encode the structural information of the human skeleton in the form of an adjacency matrix, which…

Most network-based protein (or gene) function prediction methods are based on the assumption that the labels of two adjacent proteins in the network are likely to be the same. However, assuming the pairwise relationship between proteins or…

Motivation: In the last few years a growing interest in biology has been shifting towards the problem of optimal information extraction from the huge amount of data generated via large scale and high-throughput techniques. One of the most…

Protein dynamics play a crucial role in many biological processes and drug interactions. However, measuring, and simulating protein dynamics is challenging and time-consuming. While machine learning holds promise in deciphering the…

The work for predicting drug and target affinity(DTA) is crucial for drug development and repurposing. In this work, we propose a novel method called GDGRU-DTA to predict the binding affinity between drugs and targets, which is based on…

Biomedical interaction networks have incredible potential to be useful in the prediction of biologically meaningful interactions, identification of network biomarkers of disease, and the discovery of putative drug targets. Recently, graph…

Motivation: Unanticipated drug-drug interactions (DDIs) pose significant risks in polypharmacy, emphasizing the need for predictive methods. Recent advancements in computational techniques aim to address this challenge. Methods: We…

In anti-cancer drug development, a major scientific challenge is disentangling the complex relationships between high-dimensional genomics data from patient tumor samples, the corresponding tumor's organ of origin, the drug targets…

Drug-side effect prediction has become an essential area of research in the field of pharmacology. As the use of medications continues to rise, so does the importance of understanding and mitigating the potential risks associated with them.…

The study of multi-type Protein-Protein Interaction (PPI) is fundamental for understanding biological processes from a systematic perspective and revealing disease mechanisms. Existing methods suffer from significant performance degradation…

Drug similarity has been studied to support downstream clinical tasks such as inferring novel properties of drugs (e.g. side effects, indications, interactions) from known properties. The growing availability of new types of drug features…