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We propose a novel computational framework leveraging hypergraph theory to analyse cancer stem cell markers (CSCMs) across multiple organs. Hypergraphs provide a robust representation of CSCM co-expression patterns, capturing their complex…

Biological Physics · Physics 2025-08-01 David H. Margarit , Gustavo Paccosi , Marcela V. Reale , Lilia M. Romanelli

In this mini-review, we explore the new prediction methods for drug combination synergy relying on high-throughput combinatorial screens. The fast progress of the field is witnessed in the more than thirty original machine learning methods…

Machine Learning · Computer Science 2024-04-16 Fatemeh Abbasi , Juho Rousu

Polypharmacy, defined as the use of multiple drugs together, is a standard treatment method, especially for severe and chronic diseases. However, using multiple drugs together may cause interactions between drugs. Drug-drug interaction…

Machine Learning · Computer Science 2022-07-13 Farhan Tanvir , Khaled Mohammed Saifuddin , Esra Akbas

The availability of a large amount of electronic health records (EHR) provides huge opportunities to improve health care service by mining these data. One important application is clinical endpoint prediction, which aims to predict whether…

Artificial Intelligence · Computer Science 2018-11-20 Luchen Liu , Jianhao Shen , Ming Zhang , Zichang Wang , Jian Tang

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…

Machine Learning · Computer Science 2018-05-01 Tengfei Ma , Cao Xiao , Jiayu Zhou , Fei Wang

Illuminating the interconnections between drugs and genes is an important topic in drug development and precision medicine. Currently, computational predictions of drug-gene interactions mainly focus on the binding interactions without…

Machine Learning · Computer Science 2022-05-13 Jiahua Rao , Shuangjia Zheng , Sijie Mai , Yuedong Yang

Discovering gene-disease associations is crucial for understanding disease mechanisms, yet identifying these associations remains challenging due to the time and cost of biological experiments. Computational methods are increasingly vital…

Artificial Intelligence · Computer Science 2025-01-15 Wentao Cui , Shoubo Li , Chen Fang , Qingqing Long , Chengrui Wang , Xuezhi Wang , Yuanchun Zhou

Accurately predicting hospital readmission risks using electronic health records (EHRs) is critical for effective patient management and healthcare resource allocation. Patient populations in health systems are highly heterogeneous across…

The heterogeneity of breast cancer presents considerable challenges for its early detection, prognosis, and treatment selection. Convolutional neural networks often neglect the spatial relationships within histopathological images, which…

Computer Vision and Pattern Recognition · Computer Science 2023-07-18 Akhila Krishna K , Ravi Kant Gupta , Nikhil Cherian Kurian , Pranav Jeevan , Amit Sethi

Adverse drug events (ADEs) are an important aspect of drug safety. Various texts such as biomedical literature, drug reviews, and user posts on social media and medical forums contain a wealth of information about ADEs. Recent studies have…

Computation and Language · Computer Science 2024-05-21 Shaoxiong Ji , Ya Gao , Pekka Marttinen

Learning accurate drug representations is essential for task such as computational drug repositioning. A drug hierarchy is a valuable source that encodes knowledge of relations among drugs in a tree-like structure where drugs that act on…

Biomolecules · Quantitative Biology 2022-08-15 Ke Yu , Shyam Visweswaran , Kayhan Batmanghelich

Heterogeneity is a fundamental characteristic of cancer. To accommodate heterogeneity, subgroup identification has been extensively studied and broadly categorized into unsupervised and supervised analysis. Compared to unsupervised…

Methodology · Statistics 2026-02-25 Xing Qin , Xu Liu , Shuangge Ma , Mengyun Wu

Drug combination therapy is a powerful solution for the treatment of complex disease such as cancers due to its capability of therapeutic efficacy and reducing side effects. Nevertheless, it is very difficult to screen all drug combinations…

Computational Engineering, Finance, and Science · Computer Science 2023-09-25 Jie Hu

Deep learning models have achieved expert-level performance in healthcare with an exclusive focus on training accurate models. However, in many clinical environments such as intensive care unit (ICU), real-time model serving is equally if…

Machine Learning · Computer Science 2020-08-11 Shenda Hong , Yanbo Xu , Alind Khare , Satria Priambada , Kevin Maher , Alaa Aljiffry , Jimeng Sun , Alexey Tumanov

Diabetes is a worldwide health issue affecting millions of people. Machine learning methods have shown promising results in improving diabetes prediction, particularly through the analysis of diverse data types, namely gene expression data.…

Machine Learning · Computer Science 2024-04-24 Rita T. Sousa , Heiko Paulheim

A pharmacological effect of a drug on cells, organs and systems refers to the specific biochemical interaction produced by a drug substance, which is called its mechanism of action. Drug repositioning (or drug repurposing) is a fundamental…

Machine Learning · Computer Science 2020-05-19 Dehua Chen , Amir Jalilifard , Adriano Veloso , Nivio Ziviani

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

As hospitals move towards automating and integrating their computing systems, more fine-grained hospital operations data are becoming available. These data include hospital architectural drawings, logs of interactions between patients and…

Machine Learning · Computer Science 2023-03-22 Hankyu Jang , Sulyun Lee , D. M. Hasibul Hasan , Philip M. Polgreen , Sriram V. Pemmaraju , Bijaya Adhikari

Analyzing data from multiple sources offers valuable opportunities to improve the estimation efficiency of causal estimands. However, this analysis also poses many challenges due to population heterogeneity and data privacy constraints.…

Methodology · Statistics 2025-10-23 Rong Zhao , Jason Falvey , Xu Shi , Vernon M. Chinchilli , Chixiang Chen

Combination therapy has shown to improve therapeutic efficacy while reducing side effects. Importantly, it has become an indispensable strategy to overcome resistance in antibiotics, anti-microbials, and anti-cancer drugs. Facing enormous…

Molecular Networks · Quantitative Biology 2020-04-24 Mostafa Karimi , Arman Hasanzadeh , Yang shen