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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) 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

We propose a novel neural method to extract drug-drug interactions (DDIs) from texts using external drug molecular structure information. We encode textual drug pairs with convolutional neural networks and their molecular pairs with graph…

Computation and Language · Computer Science 2018-05-16 Masaki Asada , Makoto Miwa , Yutaka Sasaki

Drug-drug interaction (DDI) is a vital information when physicians and pharmacists intend to co-administer two or more drugs. Thus, several DDI databases are constructed to avoid mistakenly combined use. In recent years, automatically…

Computation and Language · Computer Science 2017-05-19 Zibo Yi , Shasha Li , Jie Yu , Qingbo Wu

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

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

Drug-Drug Interactions (DDIs) may hamper the functionalities of drugs, and in the worst scenario, they may lead to adverse drug reactions (ADRs). Predicting all DDIs is a challenging and critical problem. Most existing computational models…

Quantitative Methods · Quantitative Biology 2023-04-19 Khaled Mohammed Saifuddin , Briana Bumgardner , Farhan Tanvir , Esra Akbas

Identification of drug-target interactions is an indispensable part of drug discovery. While conventional shallow machine learning and recent deep learning methods based on chemogenomic properties of drugs and target proteins have pushed…

Quantitative Methods · Quantitative Biology 2024-04-05 Yuanyuan Zhang , Yingdong Wang , Chaoyong Wu , Lingmin Zhana , Aoyi Wang , Caiping Cheng , Jinzhong Zhao , Wuxia Zhang , Jianxin Chen , Peng Li

Many real world systems need to operate on heterogeneous information networks that consist of numerous interacting components of different types. Examples include systems that perform data analysis on biological information networks; social…

Artificial Intelligence · Computer Science 2017-07-26 Parisa Kordjamshidi , Sameer Singh , Daniel Khashabi , Christos Christodoulopoulos , Mark Summons , Saurabh Sinha , Dan Roth

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…

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

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

Mining relationships between treatment(s) and medical problem(s) is vital in the biomedical domain. This helps in various applications, such as decision support system, safety surveillance, and new treatment discovery. We propose a deep…

Machine Learning · Computer Science 2018-07-02 Veera Raghavendra Chikka , Kamalakar Karlapalem

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

Relation extraction between drugs plays a crucial role in identifying drug drug interactions and predicting side effects. The advancement of machine learning methods in relation extraction, along with the development of large medical text…

Computation and Language · Computer Science 2025-10-28 Ali Fata , Hossein Rahmani , Parinaz Soltanzadeh , Amirhossein Derakhshan , Behrouz Minaei Bidgoli

Traditional biomedical version of embeddings obtained from pre-trained language models have recently shown state-of-the-art results for relation extraction (RE) tasks in the medical domain. In this paper, we explore how to incorporate…

Computation and Language · Computer Science 2020-12-23 Ishani Mondal

Drug combination therapy is a well-established strategy for disease treatment with better effectiveness and less safety degradation. However, identifying novel drug combinations through wet-lab experiments is resource intensive due to the…

Machine Learning · Computer Science 2023-01-18 Zhihang Hu , Qinze Yu , Yucheng Guo , Taifeng Wang , Irwin King , Xin Gao , Le Song , Yu Li

Modeling the interactions between drugs, targets, and diseases is paramount in drug discovery and has significant implications for precision medicine and personalized treatments. Current approaches frequently consider drug-target or…

Machine Learning · Computer Science 2023-12-04 Farhan Tanvir , Khaled Mohammed Saifuddin , Tanvir Hossain , Arunkumar Bagavathi , Esra Akbas

Personalized drug response has received public awareness in recent years. How to combine gene test result and drug sensitivity records is regarded as essential in the real-world implementation. Research articles are good sources to train…

Social and Information Networks · Computer Science 2019-06-20 Shiyin Wang

Objective: Medical relations are the core components of medical knowledge graphs that are needed for healthcare artificial intelligence. However, the requirement of expert annotation by conventional algorithm development processes creates a…

Machine Learning · Computer Science 2020-09-09 Yucong Lin , Keming Lu , Yulin Chen , Chuan Hong , Sheng Yu
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