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Identification of drug-target interactions is an indispensable part of drug discovery. While conventional shallow machine learning and recent deep learning methods based on chemogenomic properties of drugs and target proteins have pushed…

Quantitative Methods · Quantitative Biology 2024-04-05 Yuanyuan Zhang , Yingdong Wang , Chaoyong Wu , Lingmin Zhana , Aoyi Wang , Caiping Cheng , Jinzhong Zhao , Wuxia Zhang , Jianxin Chen , Peng Li

Heterogeneous molecular entities and their interactions, commonly depicted as a network, are crucial for advancing our systems-level understanding of biology. With recent advancements in high-throughput data generation and a significant…

Quantitative Methods · Quantitative Biology 2026-03-18 Kishan KC , Rui Li , Paribesh Regmi , Anne R. Haake

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…

Machine Learning · Computer Science 2021-03-29 Kishan KC , Rui Li , Feng Cui , Anne Haake

Electrocardiograms (ECG), which record the electrophysiological activity of the heart, have become a crucial tool for diagnosing these diseases. In recent years, the application of deep learning techniques has significantly improved the…

Signal Processing · Electrical Eng. & Systems 2024-06-26 Wei Huang , Ning Wang , Panpan Feng , Haiyan Wang , Zongmin Wang , Bing Zhou

Multi-modal neuroimaging technology has greatlly facilitated the efficiency and diagnosis accuracy, which provides complementary information in discovering objective disease biomarkers. Conventional deep learning methods, e.g. convolutional…

Image and Video Processing · Electrical Eng. & Systems 2022-10-26 Yanwu Yang , Xutao Guo , Zhikai Chang , Chenfei Ye , Yang Xiang , Ting Ma

Drug-drug interaction(DDI) prediction is an important task in the medical health machine learning community. This study presents a new method, multi-view graph contrastive representation learning for drug-drug interaction prediction,…

Machine Learning · Computer Science 2021-04-13 Yingheng Wang , Yaosen Min , Xin Chen , Ji Wu

Expanding the scope of graph-based, deep-learning models to noncovalent protein-ligand interactions has earned increasing attention in structure-based drug design. Modeling the protein-ligand interactions with graph neural networks (GNNs)…

Biomolecules · Quantitative Biology 2020-05-28 Hyeoncheol Cho , Eok Kyun Lee , Insung S. Choi

Latent representations of drugs and their targets produced by contemporary graph autoencoder models have proved useful in predicting many types of node-pair interactions on large networks, including drug-drug, drug-target, and target-target…

Machine Learning · Computer Science 2023-02-20 Nhat Khang Ngo , Truong Son Hy , Risi Kondor

Minimizing adverse reactions caused by drug-drug interactions has always been a momentous research topic in clinical pharmacology. Detecting all possible interactions through clinical studies before a drug is released to the market is a…

Artificial Intelligence · Computer Science 2018-03-13 Meng Wang

Automatic emotion recognition based on multichannel Electroencephalography (EEG) holds great potential in advancing human-computer interaction. However, several significant challenges persist in existing research on algorithmic emotion…

Machine Learning · Computer Science 2023-10-24 Hongxiang Gao , Xiangyao Wang , Zhenghua Chen , Min Wu , Zhipeng Cai , Lulu Zhao , Jianqing Li , Chengyu Liu

Most of the existing medicine recommendation systems that are mainly based on electronic medical records (EMRs) are significantly assisting doctors to make better clinical decisions benefiting both patients and caregivers. Even though the…

Information Retrieval · Computer Science 2020-12-01 Fang Gong , Meng Wang , Haofen Wang , Sen Wang , Mengyue Liu

Routine clinical visits of a patient produce not only image data, but also non-image data containing clinical information regarding the patient, i.e., medical data is multi-modal in nature. Such heterogeneous modalities offer different and…

Computer Vision and Pattern Recognition · Computer Science 2023-03-16 Sein Kim , Namkyeong Lee , Junseok Lee , Dongmin Hyun , Chanyoung Park

Adverse drug reaction (ADR) prediction plays a crucial role in both health care and drug discovery for reducing patient mortality and enhancing drug safety. Recently, many studies have been devoted to effectively predict the drug-ADRs…

Information Retrieval · Computer Science 2023-08-08 Haoxuan Li , Taojun Hu , Zetong Xiong , Chunyuan Zheng , Fuli Feng , Xiangnan He , Xiao-Hua Zhou

Molecular representation learning is vital for various downstream applications, including the analysis and prediction of molecular properties and side effects. While Graph Neural Networks (GNNs) have been a popular framework for modeling…

Machine Learning · Computer Science 2025-02-18 Pengcheng Jiang , Cao Xiao , Tianfan Fu , Parminder Bhatia , Taha Kass-Hout , Jimeng Sun , Jiawei Han

Hypergraphs can model higher-order relationships among data objects that are found in applications such as social networks and bioinformatics. However, recent studies on hypergraph learning that extend graph convolutional networks to…

Machine Learning · Computer Science 2024-05-29 Yumeng Song , Yu Gu , Tianyi Li , Jianzhong Qi , Zhenghao Liu , Christian S. Jensen , Ge Yu

Drug-target relationships may now be predicted computationally using bioinformatics data, which is a valuable tool for understanding pharmacological effects, enhancing drug development efficiency, and advancing related research. A number of…

Machine Learning · Computer Science 2024-07-16 Yuhuan Zhou , Yulin Wu , Weiwei Yuan , Xuan Wang , Junyi Li

Knowledge graphs are powerful tools for representing and organising complex biomedical data. Several knowledge graph embedding algorithms have been proposed to learn from and complete knowledge graphs. However, a recent study demonstrates…

Medication recommendation targets to provide a proper set of medicines according to patients' diagnoses, which is a critical task in clinics. Currently, the recommendation is manually conducted by doctors. However, for complicated cases,…

Machine Learning · Computer Science 2022-02-21 Rui Wu , Zhaopeng Qiu , Jiacheng Jiang , Guilin Qi , Xian Wu

Precision medicine tailored to individual patients has gained significant attention in recent times. Machine learning techniques are now employed to process personalized data from various sources, including images, genetics, and…

Machine Learning · Computer Science 2023-11-27 Jie Lian , Xufang Luo , Caihua Shan , Dongqi Han , Varut Vardhanabhuti , Dongsheng Li

Patient-derived xenografts (PDXs) are an appealing platform for preclinical drug studies because the in vivo environment of PDXs helps preserve tumor heterogeneity and usually better mimics drug response of patients with cancer compared to…

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