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Irregular Medical Time Series play a critical role in the clinical domain to better understand the patient's condition. However, inherent irregularity arising from heterogeneous sampling rates, asynchronous observations, and variable gaps…

Machine Learning · Computer Science 2026-04-15 Jian Chen , Yuzhu Hu , Xiaoyan Yuan , Yuxuan Hu , Jinfeng Xu , Yipeng Du , Wenhao Yuan , Wei Wang , Edith C. H. Ngai

The extraction of biomedical data has significant academic and practical value in contemporary biomedical sciences. In recent years, drug repositioning, a cost-effective strategy for drug development by discovering new indications for…

Machine Learning · Computer Science 2025-01-20 Enqiang Zhu , Xiang Li , Chanjuan Liu , Nikhil R. Pal

Graph neural networks (GNNs) have emerged as one of the most effective ML techniques for drug effect prediction from drug molecular graphs. Despite having immense potential, GNN models lack performance when using datasets that contain…

Machine Learning · Computer Science 2024-10-15 Avishek Bose , Guojing Cong

Developing and discovering new drugs is a complex and resource-intensive endeavor that often involves substantial costs, time investment, and safety concerns. A key aspect of drug discovery involves identifying novel drug-target (DT)…

Machine Learning · Computer Science 2024-02-13 Rakesh Bal , Yijia Xiao , Wei Wang

Medication recommendation is an essential task of AI for healthcare. Existing works focused on recommending drug combinations for patients with complex health conditions solely based on their electronic health records. Thus, they have the…

Machine Learning · Computer Science 2022-07-20 Chaoqi Yang , Cao Xiao , Fenglong Ma , Lucas Glass , Jimeng Sun

Preventable adverse events as a result of medical errors present a growing concern in the healthcare system. As drug-drug interactions (DDIs) may lead to preventable adverse events, being able to extract DDIs from drug labels into a…

Computation and Language · Computer Science 2019-11-06 Tung Tran , Ramakanth Kavuluru , Halil Kilicoglu

Computer-Aided Drug Discovery research has proven to be a promising direction in drug discovery. In recent years, Deep Learning approaches have been applied to problems in the domain such as Drug-Target Interaction Prediction and have shown…

Machine Learning · Computer Science 2020-04-28 Brighter Agyemang , Wei-Ping Wu , Michael Y. Kpiebaareh , Ebenezer Nanor

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

Some patients benefit from a treatment while others may do so less or do not benefit at all. We have previously developed a two-stage network meta-regression prediction model that synthesized randomized trials and evaluates how treatment…

Computational models of neurodegeneration aim to emulate the evolving pattern of pathology in the brain during neurodegenerative disease, such as Alzheimer's disease. Previous studies have made specific choices on the mechanisms of…

Quantitative Methods · Quantitative Biology 2023-08-11 Tiantian He , Elinor Thompson , Anna Schroder , Neil P. Oxtoby , Ahmed Abdulaal , Frederik Barkhof , Daniel C. Alexander

The Intensive Care Unit (ICU) is one of the most important parts of a hospital, which admits critically ill patients and provides continuous monitoring and treatment. Various patient outcome prediction methods have been attempted to assist…

Machine Learning · Computer Science 2023-10-24 Yuxi Liu , Zhenhao Zhang , Shaowen Qin , Flora D. Salim , Antonio Jimeno Yepes , Jun Shen , Jiang Bian

Motivation: Predicting Drug-Target Interaction (DTI) is a well-studied topic in bioinformatics due to its relevance in the fields of proteomics and pharmaceutical research. Although many machine learning methods have been successfully…

Quantitative Methods · Quantitative Biology 2021-07-14 Haiyang Wang , Guangyu Zhou , Siqi Liu , Jyun-Yu Jiang , Wei Wang

In recent years, graph learning has gained significant interest for modeling complex interactions among medical events in structured Electronic Health Record (EHR) data. However, existing graph-based approaches often work in a static…

Machine Learning · Computer Science 2025-06-23 Deyi Li , Zijun Yao , Muxuan Liang , Mei Liu

Medication Recommendation (MR) is a promising research topic which booms diverse applications in the healthcare and clinical domains. However, existing methods mainly rely on sequential modeling and static graphs for representation…

Machine Learning · Computer Science 2025-01-16 Guanlin Liu , Xiaomei Yu , Zihao Liu , Xue Li , Xingxu Fan , Xiangwei Zheng

Coronavirus Disease 2019 (COVID-19) has been creating a worldwide pandemic situation. Repurposing drugs, already shown to be free of harmful side effects, for the treatment of COVID-19 patients is an important option in launching novel…

Molecular Networks · Quantitative Biology 2020-07-07 Sumanta Ray , Snehalika Lall , Anirban Mukhopadhyay , Sanghamitra Bandyopadhyay , Alexander Schönhuth

Graph Convolutional Networks (GCNs) are one of the most popular architectures that are used to solve classification problems accompanied by graphical information. We present a rigorous theoretical understanding of the effects of graph…

Machine Learning · Computer Science 2022-08-03 Aseem Baranwal , Kimon Fountoulakis , Aukosh Jagannath

The intrinsic complexity of human biology presents ongoing challenges to scientific understanding. Researchers collaborate across disciplines to expand our knowledge of the biological interactions that define human life. AI methodologies…

The rapid advancement of medical technology has led to an exponential increase in multi-modal medical data, including imaging, genomics, and electronic health records (EHRs). Graph neural networks (GNNs) have been widely used to represent…

Quantitative Methods · Quantitative Biology 2024-10-03 Favour Nerrise , Alice Louise Heiman , Ehsan Adeli

Drug-drug interactions (DDIs) are a major concern in polypharmacy. Public databases often provide only qualitative descriptions without pharmacokinetic context. We present an interactive web tool that integrates 191,541 descriptive DDI…

Quantitative Methods · Quantitative Biology 2025-08-13 Nadezhda Diadkina

The identification of compound-protein interactions (CPI) plays a critical role in drug screening, drug repurposing, and combination therapy studies. The effectiveness of CPI prediction relies heavily on the features extracted from both…

Biomolecules · Quantitative Biology 2023-06-16 Li Zhang , Wenhao Li , Haotian Guan , Zhiquan He , Mingjun Cheng , Han Wang
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