English
Related papers

Related papers: Multi-View Substructure Learning for Drug-Drug Int…

200 papers

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

Concomitant administration of drugs can cause drug-drug interactions (DDIs). Some drug combinations are beneficial, but other ones may cause negative effects which are previously unrecorded. Previous works on DDI prediction usually rely on…

Artificial Intelligence · Computer Science 2022-08-26 Xinyu Zhu , Yongliang Shen , Weiming Lu

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

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

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

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

Adverse drug-drug interactions~(DDIs) can compromise the effectiveness of concurrent drug administration, posing a significant challenge in healthcare. As the development of new drugs continues, the potential for unknown adverse effects…

Computation and Language · Computer Science 2024-03-14 Fangqi Zhu , Yongqi Zhang , Lei Chen , Bing Qin , Ruifeng Xu

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-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

Drug-drug interaction (DDI) prediction is a critical task in computational biomedicine, as adverse interactions between co-administered drugs can cause severe side effects and clinical risks. A key challenge is unseen-drug generalization,…

Machine Learning · Computer Science 2026-05-15 Yerin Park , Sangseon Lee

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

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 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

Cold-start drug-target interaction (DTI) prediction focuses on interaction between novel drugs and proteins. Previous methods typically learn transferable interaction patterns between structures of drug and proteins to tackle it. However,…

Machine Learning · Computer Science 2025-10-07 Ziying Zhang , Yaqing Wang , Yuxuan Sun , Min Ye , Quanming Yao

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 is an important task in the medical health machine learning community. This study presents a new method, multi-view graph contrastive representation learning for drug-drug interaction prediction,…

Machine Learning · Computer Science 2021-04-13 Yingheng Wang , Yaosen Min , Xin Chen , Ji Wu

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

Since multidrug combination is widely applied, the accurate prediction of drug-drug interaction (DDI) is becoming more and more critical. In our method, we use graph to represent drug-drug interaction: nodes represent drug; edges represent…

Machine Learning · Computer Science 2022-09-01 Haifan zhou , Wenjing Zhou , Junfeng Wu

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…

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
‹ Prev 1 2 3 10 Next ›