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Recent years have witnessed the rapid accumulation of massive electronic medical records (EMRs), which highly support the intelligent medical services such as drug recommendation. However, prior arts mainly follow the traditional…

Information Retrieval · Computer Science 2021-02-09 Zhi Zheng , Chao Wang , Tong Xu , Dazhong Shen , Penggang Qin , Baoxing Huai , Tongzhu Liu , Enhong Chen

In the treatment of complex diseases, treatment regimens using a single drug often yield limited efficacy and can lead to drug resistance. In contrast, combination drug therapies can significantly improve therapeutic outcomes through…

Machine Learning · Computer Science 2026-04-24 Jiyan Song , Wenyang Wang , Chengcheng Yan , Zhiquan Han , Feifei Zhao

Drug-drug interactions are preventable causes of medical injuries and often result in doctor and emergency room visits. Computational techniques can be used to predict potential drug-drug interactions. We approach the drug-drug interaction…

Machine Learning · Computer Science 2019-08-06 Guy Shtar , Lior Rokach , Bracha Shapira

Drug resistance is still a major challenge in cancer therapy. Drug combination is expected to overcome drug resistance. However, the number of possible drug combinations is enormous, and thus it is infeasible to experimentally screen all…

Genomics · Quantitative Biology 2018-11-20 Tianyu Zhang , Liwei Zhang , Philip R. O. Payne , Fuhai Li

Hypergraph offers a framework to depict the multilateral relationships in real-world complex data. Predicting higher-order relationships, i.e hyperedge, becomes a fundamental problem for the full understanding of complicated interactions.…

Social and Information Networks · Computer Science 2021-06-15 Changlin Wan , Muhan Zhang , Wei Hao , Sha Cao , Pan Li , Chi Zhang

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

Complex or co-existing diseases are commonly treated using drug combinations, which can lead to higher risk of adverse side effects. The detection of polypharmacy side effects is usually done in Phase IV clinical trials, but there are still…

Machine Learning · Statistics 2019-05-03 Andreea Deac , Yu-Hsiang Huang , Petar Veličković , Pietro Liò , Jian Tang

Hypergraphs (i.e., sets of hyperedges) naturally represent group relations (e.g., researchers co-authoring a paper and ingredients used together in a recipe), each of which corresponds to a hyperedge (i.e., a subset of nodes). Predicting…

Machine Learning · Computer Science 2022-04-19 Hyunjin Hwang , Seungwoo Lee , Chanyoung Park , Kijung Shin

Drug side effects are a major global health concern, necessitating advanced methods for their accurate detection and analysis. While Large Language Models (LLMs) offer promising conversational interfaces, their inherent limitations,…

Information Retrieval · Computer Science 2025-07-21 Shad Nygren , Pinar Avci , Andre Daniels , Reza Rassol , Afshin Beheshti , Diego Galeano

To date, there are no effective treatments for most neurodegenerative diseases. Knowledge graphs can provide comprehensive and semantic representation for heterogeneous data, and have been successfully leveraged in many biomedical…

Artificial Intelligence · Computer Science 2022-11-30 Yi Nian , Xinyue Hu , Rui Zhang , Jingna Feng , Jingcheng Du , Fang Li , Yong Chen , Cui Tao

Background: Alzheimer's disease and related dementias (ADRD) ranks as the sixth leading cause of death in the US, underlining the importance of accurate ADRD risk prediction. While recent advancement in ADRD risk prediction have primarily…

Machine Learning · Computer Science 2024-06-11 Xinyue Hu , Zenan Sun , Yi Nian , Yichen Wang , Yifang Dang , Fang Li , Jingna Feng , Evan Yu , Cui Tao

Social media has grown to be a crucial information source for pharmacovigilance studies where an increasing number of people post adverse reactions to medical drugs that are previously unreported. Aiming to effectively monitor various…

Machine Learning · Computer Science 2018-02-19 Shaika Chowdhury , Chenwei Zhang , Philip S. Yu

Predicting whether two drugs interact (binary detection) is a substantially dif- ferent task from predicting the mechanism type of that interaction (multi-class classification). This study presents a systematic ablation study of three Graph…

Machine Learning · Computer Science 2026-05-28 Juergen Dietrich

Background: The problem of predicting whether a drug combination of arbitrary orders is likely to induce adverse drug reactions is considered in this manuscript. Methods: Novel kernels over drug combinations of arbitrary orders are…

Machine Learning · Computer Science 2019-02-26 Wen-Hao Chiang , Li Shen , Lang Li , Xia Ning

Examining Drug-Drug Interactions (DDIs) is a pivotal element in the process of drug development. DDIs occur when one drug's properties are affected by the inclusion of other drugs. Detecting favorable DDIs has the potential to pave the way…

Machine Learning · Computer Science 2026-03-20 Azmine Toushik Wasi , Taki Hasan Rafi , Raima Islam , Serbetar Karlo , Dong-Kyu Chae

The RNA inverse folding problem, a key challenge in RNA design, involves identifying nucleotide sequences that can fold into desired secondary structures, which are critical for ensuring molecular stability and function. The inherent…

Computer Vision and Pattern Recognition · Computer Science 2025-12-04 Guang Yang , Lei Fan

Retrieving gene functional networks from knowledge databases presents a challenge due to the mismatch between disease networks and subtype-specific variations. Current solutions, including statistical and deep learning methods, often fail…

Machine Learning · Computer Science 2025-02-25 Ziwei Yang , Zheng Chen , Xin Liu , Rikuto Kotoge , Peng Chen , Yasuko Matsubara , Yasushi Sakurai , Jimeng Sun

Medication recommendations aim to generate safe and effective medication sets from health records. However, accurately recommending medications hinges on inferring a patient's latent clinical condition from sparse and noisy observations,…

Information Retrieval · Computer Science 2026-03-20 Xiangxu Zhang , Xiao Zhou , Hongteng Xu , Jianxun Lian

Learning accurate drug representation is essential for tasks such as computational drug repositioning and prediction of drug side-effects. A drug hierarchy is a valuable source that encodes human knowledge of drug relations in a tree-like…

Machine Learning · Computer Science 2020-06-02 Ke Yu , Shyam Visweswaran , Kayhan Batmanghelich

Adverse drug reactions (ADR) are widely concerning for public health issue. In this study we propose an original approach to detect ADRs using a feature matrix and feature selection. The experiments are carried out on the drug Simvastatin.…

Computational Engineering, Finance, and Science · Computer Science 2014-09-04 Yihui Liu , Uwe Aickelin