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Drug-drug interactions (DDIs) can result in various pharmacological changes, which can be categorized into different classes known as DDI events (DDIEs). In recent years, previously unobserved/unseen DDIEs have been emerging, posing a new…

Machine Learning · Computer Science 2024-08-01 Ziyan Wang , Zhankun Xiong , Feng Huang , Xuan Liu , Wen Zhang

Predicting unknown drug-drug interactions (DDIs) is crucial for improving medication safety. Previous efforts in DDI prediction have typically focused on binary classification or predicting DDI categories, with the absence of explanatory…

Computation and Language · Computer Science 2024-09-10 Zhaoyue Sun , Jiazheng Li , Gabriele Pergola , Yulan He

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

The increasing volume of drug combinations in modern therapeutic regimens needs reliable methods for predicting drug-drug interactions (DDIs). While Large Language Models (LLMs) have revolutionized various domains, their potential in…

Machine Learning · Computer Science 2025-02-12 Gabriele De Vito , Filomena Ferrucci , Athanasios Angelakis

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

Predicting and discovering drug-drug interactions (DDIs) using machine learning has been studied extensively. However, most of the approaches have focused on text data or textual representation of the drug structures. We present the first…

Machine Learning · Computer Science 2021-03-22 Devendra Singh Dhami , Siwen Yan , Gautam Kunapuli , David Page , Sriraam Natarajan

Drug-Drug Interactions (DDIs) significantly influence therapeutic efficacy and patient safety. As experimental discovery is resource-intensive and time-consuming, efficient computational methodologies have become essential. The predominant…

Machine Learning · Computer Science 2026-02-03 Xinmo Jin , Bowen Fan , Xunkai Li , Henan Sun , YuXin Zeng , Zekai Chen , Yuxuan Sun , Jia Li , Qiangqiang Dai , Hongchao Qin , Rong-Hua Li , Guoren Wang

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

Predicting and discovering drug-drug interactions (DDIs) is an important problem and has been studied extensively both from medical and machine learning point of view. Almost all of the machine learning approaches have focused on text data…

Machine Learning · Computer Science 2020-06-30 Devendra Singh Dhami , Siwen Yan , Gautam Kunapuli , David Page , Sriraam Natarajan

Drug-drug interaction (DDI) prediction is central to drug discovery and clinical development, particularly in the context of increasingly prevalent polypharmacy. Although existing computational methods achieve strong performance on standard…

Machine Learning · Computer Science 2026-01-23 Dong Xu , Jiantao Wu , Qihua Pan , Sisi Yuan , Zexuan Zhu , Junkai Ji

Minimizing adverse reactions caused by drug-drug interactions has always been a momentous research topic in clinical pharmacology. Detecting all possible interactions through clinical studies before a drug is released to the market is a…

Artificial Intelligence · Computer Science 2018-03-13 Meng Wang

Background: Drug-drug interactions (DDIs) refer to processes triggered by the administration of two or more drugs leading to side effects beyond those observed when drugs are administered by themselves. Due to the massive number of possible…

Quantitative Methods · Quantitative Biology 2020-12-25 Kyriakos Schwarz , Ahmed Allam , Nicolas Andres Perez Gonzalez , Michael Krauthammer

Drug-drug interactions (DDIs) are a major concern in clinical practice, as they can lead to reduced therapeutic efficacy or severe adverse effects. Traditional computational approaches often struggle to capture the complex relationships…

Machine Learning · Computer Science 2025-08-27 Hongbo Liu , Siyi Li , Zheng Yu

Motivation: Computational prediction of multiple-type drug-drug interaction (DDI) helps reduce unexpected side effects in poly-drug treatments. Although existing computational approaches achieve inspiring results, they ignore that the…

Machine Learning · Computer Science 2021-12-07 Hui Yu , ShiYu Zhao , JianYu Shi

Drug-drug interactions (DDIs) are a leading cause of preventable adverse events, often complicating treatment and increasing healthcare costs. At the same time, knowing which drugs do not interact is equally important, as such knowledge…

Machine Learning · Computer Science 2026-01-08 Maryam Abdollahi Shamami , Babak Teimourpour , Farshad Sharifi

Recent advances and achievements of artificial intelligence (AI) as well as deep and graph learning models have established their usefulness in biomedical applications, especially in drug-drug interactions (DDIs). DDIs refer to a change in…

Preventable adverse drug reactions as a result of medical errors present a growing concern in modern medicine. As drug-drug interactions (DDIs) may cause adverse reactions, being able to extracting DDIs from drug labels into…

Computation and Language · Computer Science 2019-05-21 Tung Tran , Ramakanth Kavuluru , Halil Kilicoglu

Drug-drug interactions (DDIs) arise when multiple drugs are administered concurrently. Accurately predicting the specific mechanisms underlying DDIs (named DDI events or DDIEs) is critical for the safe clinical use of drugs. DDIEs are…

Biomolecules · Quantitative Biology 2025-07-28 Ziyan Wang , Zhankun Xiong , Feng Huang , Wen Zhang

Interference between pharmacological substances can cause serious medical injuries. Correctly predicting so-called drug-drug interactions (DDI) does not only reduce these cases but can also result in a reduction of drug development cost.…

Machine Learning · Computer Science 2019-08-06 Md. Rezaul Karim , Michael Cochez , Joao Bosco Jares , Mamtaz Uddin , Oya Beyan , Stefan Decker

Drug-drug interactions (DDIs) remain a major source of preventable harm, and many clinically important mechanisms are still unknown. Existing models either rely on pharmacologic knowledge graphs (KGs), which fail on unseen drugs, or on…

Machine Learning · Computer Science 2025-11-11 Franklin Lee , Tengfei Ma
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