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Graphs are widely used as a natural framework that captures interactions between individual elements represented as nodes in a graph. In medical applications, specifically, nodes can represent individuals within a potentially large…

We introduce Bi-GNN for modeling biological link prediction tasks such as drug-drug interaction (DDI) and protein-protein interaction (PPI). Taking drug-drug interaction as an example, existing methods using machine learning either only…

Computational Engineering, Finance, and Science · Computer Science 2020-06-26 Yunsheng Bai , Ken Gu , Yizhou Sun , Wei Wang

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

Social media is an useful platform to share health-related information due to its vast reach. This makes it a good candidate for public-health monitoring tasks, specifically for pharmacovigilance. We study the problem of extraction of…

Information Retrieval · Computer Science 2017-09-07 Shashank Gupta , Sachin Pawar , Nitin Ramrakhiyani , Girish Palshikar , Vasudeva Varma

The paper utilizes the graph embeddings generated for entities of a large biomedical database to perform link prediction to capture various new relationships among different entities. A novel node similarity measure is proposed that…

Information Retrieval · Computer Science 2021-11-01 Prakhar Gurawa , Matthias Nickles

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

Clinicians prescribe antibiotics by looking at the patient's health record with an experienced eye. However, the therapy might be rendered futile if the patient has drug resistance. Determining drug resistance requires time-consuming…

Artificial Intelligence · Computer Science 2023-03-09 Honglin Shu , Pei Gao , Lingwei Zhu , Zheng Chen

Background: Discovering potential drug-drug interactions (DDIs) is a long-standing challenge in clinical treatments and drug developments. Recently, deep learning techniques have been developed for DDI prediction. However, they generally…

Machine Learning · Computer Science 2024-03-20 Yaqing Wang , Zaifei Yang , Quanming Yao

The 2019 novel coronavirus (SARS-CoV-2) pandemic has resulted in more than a million deaths, high morbidities, and economic distress worldwide. There is an urgent need to identify medications that would treat and prevent novel diseases like…

Machine Learning · Computer Science 2020-12-04 Siddhant Doshi , Sundeep Prabhakar Chepuri

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

Population-scale drug prescription data linked with adverse drug reaction (ADR) data supports the fitting of models large enough to detect drug use and ADR patterns that are not detectable using traditional methods on smaller datasets.…

Quantitative Methods · Quantitative Biology 2021-06-02 Tengel Ekrem Skar , Einar Holsbø , Kristian Svendsen , Lars Ailo Bongo

Drug combinations can cause adverse drug-drug interactions(DDIs). Identifying specific effects is crucial for developing safer therapies. Previous works on DDI event prediction have typically been limited to using labels of specific events…

Biomolecules · Quantitative Biology 2024-11-05 Yingying Wang , Yun Xiong , Xixi Wu , Xiangguo Sun , Jiawei Zhang

Motivation: Drug repurposing is a viable solution for reducing the time and cost associated with drug development. However, thus far, the proposed drug repurposing approaches still need to meet expectations. Therefore, it is crucial to…

Machine Learning · Computer Science 2024-05-21 Ali Gharizadeh , Karim Abbasi , Amin Ghareyazi , Mohammad R. K. Mofrad , Hamid R. Rabiee

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

Timely detected anomalies in the chemical technological processes, as well as the earliest detection of the cause of the fault, significantly reduce the production cost in the industrial factories. Data on the state of the technological…

Artificial Intelligence · Computer Science 2022-10-21 Alexander Kovalenko , Vitaliy Pozdnyakov , Ilya Makarov

Most existing methods for predicting drug-drug interactions (DDI) predominantly concentrate on capturing the explicit relationships among drugs, overlooking the valuable implicit correlations present between drug pairs (DPs), which leads to…

Machine Learning · Computer Science 2024-02-29 Mengying Jiang , Guizhong Liu , Yuanchao Su , Weiqiang Jin , Biao Zhao

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

Much recent research aims to identify evidence for Drug-Drug Interactions (DDI) and Adverse Drug reactions (ADR) from the biomedical scientific literature. In addition to this "Bibliome", the universe of social media provides a very…

Social and Information Networks · Computer Science 2016-01-15 Rion Brattig Correia , Lang Li , Luis M. Rocha

Target selection is crucial in pharmaceutical drug discovery, directly influencing clinical trial success. Despite its importance, drug development remains resource-intensive, often taking over a decade with significant financial costs.…

Quantitative Methods · Quantitative Biology 2024-09-26 David Narganes-Carlon , Anniek Myatt , Mani Mudaliar , Daniel J. Crowther

Recommending safe and effective medication combinations from electronic health records (EHRs) is a core clinical AI problem, yet it remains difficult because patient trajectories are long, noisy, and clinically heterogeneous. Existing…

Machine Learning · Computer Science 2026-05-21 Krati Saxena , Tomohiro Shibata