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Over the years several studies have demonstrated the ability to identify potential drug-drug interactions via data mining from the literature (MEDLINE), electronic health records, public databases (Drugbank), etc. While each one of these…

Computers and Society · Computer Science 2015-07-21 Juan M. Banda , Tobias Kuhn , Nigam H. Shah , Michel Dumontier

Adverse drug events (ADEs) are a major safety issue in clinical trials. Thus, predicting ADEs is key to developing safer medications and enhancing patient outcomes. To support this effort, we introduce CT-ADE, a dataset for multilabel ADE…

Computation and Language · Computer Science 2025-03-11 Anthony Yazdani , Alban Bornet , Philipp Khlebnikov , Boya Zhang , Hossein Rouhizadeh , Poorya Amini , Douglas Teodoro

Understanding the interaction between different drugs (drug-drug interaction or DDI) is critical for ensuring patient safety and optimizing therapeutic outcomes. Existing DDI datasets primarily focus on textual information, overlooking…

Machine Learning · Computer Science 2025-06-03 Tung-Lam Ngo , Ba-Hoang Tran , Duy-Cat Can , Trung-Hieu Do , Oliver Y. Chén , Hoang-Quynh Le

Drug-drug interaction (DDI) prediction provides a drug combination strategy for systemically effective treatment. Previous studies usually model drug information constrained on a single view such as the drug itself, leading to incomplete…

Biomolecules · Quantitative Biology 2022-03-29 Zimeng Li , Shichao Zhu , Bin Shao , Tie-Yan Liu , Xiangxiang Zeng , Tong Wang

Patients with Acute Kidney Injury (AKI) increase mortality, morbidity, and long-term adverse events. Therefore, early identification of AKI may improve renal function recovery, decrease comorbidities, and further improve patients' survival.…

Applications · Statistics 2020-07-08 Bowen Kuo , Yihuang Kang , Pinghsung Wu , Sheng-Tai Huang , Yajie Huang

Drug Names, Population Level Surveillance and the FDA's Adverse Event Reporting System: An Exploratory Data Survey of Drug Name Incidence and Prevalence, 2004-2012Q2 Purpose: To count and monitor the drug names reported in the publicly…

Computational Engineering, Finance, and Science · Computer Science 2013-09-04 Nick Williams

Dietary supplements are used by a large portion of the population, but information on their pharmacologic interactions is incomplete. To address this challenge, we present SUPP.AI, an application for browsing evidence of supplement-drug…

Computation and Language · Computer Science 2020-07-08 Lucy Lu Wang , Oyvind Tafjord , Arman Cohan , Sarthak Jain , Sam Skjonsberg , Carissa Schoenick , Nick Botner , Waleed Ammar

Predicting drug-drug interactions (DDI) is the problem of predicting side effects (unwanted outcomes) of a pair of drugs using drug information and known side effects of many pairs. This problem can be formulated as predicting labels (i.e.…

Machine Learning · Computer Science 2023-04-05 Duc Anh Nguyen , Canh Hao Nguyen , Hiroshi Mamitsuka

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-drug interactions (DDIs) are a major cause of preventable hospitalizations and deaths. Predicting the occurrence of DDIs helps drug safety professionals allocate investigative resources and take appropriate regulatory action promptly.…

Machine Learning · Computer Science 2018-11-02 Xu Chu , Yang Lin , Jingyue Gao , Jiangtao Wang , Yasha Wang , Leye Wang

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

Accurately predicting drug-drug interactions (DDI) for emerging drugs, which offer possibilities for treating and alleviating diseases, with computational methods can improve patient care and contribute to efficient drug development.…

Quantitative Methods · Quantitative Biology 2023-11-17 Yongqi Zhang , Quanming Yao , Ling Yue , Xian Wu , Ziheng Zhang , Zhenxi Lin , Yefeng Zheng

Drug-drug interactions pose a significant challenge in clinical pharmacology, with severe class imbalance among interaction types limiting the effectiveness of predictive models. Common interactions dominate datasets, while rare but…

Machine Learning · Computer Science 2025-10-31 Azmine Toushik Wasi

Drug-side effect research is vital for understanding adverse reactions arising in complex multi-drug therapies. However, the scarcity of higher-order datasets that capture the combinatorial effects of multiple drugs severely limits progress…

Machine Learning · Computer Science 2025-02-11 Zhaoying Wang , Yingdan Shi , Xiang Liu , Can Chen , Jun Wen , Ren Wang

Identifying and discovering drug-target interactions(DTIs) are vital steps in drug discovery and development. They play a crucial role in assisting scientists in finding new drugs and accelerating the drug development process. Recently,…

Quantitative Methods · Quantitative Biology 2023-11-15 Wenting Ye , Chen Li , Yang Xie , Wen Zhang , Hong-Yu Zhang , Bowen Wang , Debo Cheng , Zaiwen Feng

In recent decades, there has been an increase in polypharmacy, the concurrent administration of multiple drugs per patient. Studies have shown that polypharmacy is linked to adverse patient outcomes and there is interest in elucidating the…

Quantitative Methods · Quantitative Biology 2022-07-20 Kyriakos Schwarz , Daniel Trejo Banos , Giulia Rathmes , Michael Krauthammer

Accurate prediction of drug-drug interactions (DDI) is crucial for medication safety and effective drug development. However, existing methods often struggle to capture structural information across different scales, from local functional…

Machine Learning · Computer Science 2026-03-27 Zimo Yan , Jie Zhang , Zheng Xie , Yiping Song , Hao Li

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

Side effects of prescribed medications are a common occurrence. Electronic healthcare databases present the opportunity to identify new side effects efficiently but currently the methods are limited due to confounding (i.e. when an…

Databases · Computer Science 2016-11-17 Jenna M. Reps , Uwe Aickelin , Jiangang Ma , Yanchun Zhang

Adverse drug interactions are a critical concern in pharmacovigilance, as both clinical trials and spontaneous reporting systems often lack the breadth to detect complex drug interactions. This study introduces a computational framework for…

Applications · Statistics 2025-04-02 Jules Bangard , Einar Holsbø , Kristian Svendsen , Vittorio Perduca , Etienne Birmelé