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Related papers: Predicting Drug-Drug Interactions Using Knowledge …

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Interaction between pharmacological agents can trigger unexpected adverse events. Capturing richer and more comprehensive information about drug-drug interactions (DDI) is one of the key tasks in public health and drug development.…

Machine Learning · Computer Science 2020-10-19 Yuanfei Dai , Chenhao Guo , Wenzhong Guo , Carsten Eickhoff

In clinical treatment, identifying potential adverse reactions of drugs can help assist doctors in making medication decisions. In response to the problems in previous studies that features are high-dimensional and sparse, independent…

Quantitative Methods · Quantitative Biology 2024-07-30 Yufeng Li , Wenchao Zhao , Bo Dang , Xu Yan , Weimin Wang , Min Gao , Mingxuan Xiao

Co-administration of two or more drugs simultaneously can result in adverse drug reactions. Identifying drug-drug interactions (DDIs) is necessary, especially for drug development and for repurposing old drugs. DDI prediction can be viewed…

Quantitative Methods · Quantitative Biology 2022-10-21 Stuti Jain , Emilie Chouzenoux , Kriti Kumar , Angshul Majumdar

Drug synergy arises when the combined impact of two drugs exceeds the sum of their individual effects. While single-drug effects on cell lines are well-documented, the scarcity of data on drug synergy, considering the vast array of…

Quantitative Methods · Quantitative Biology 2024-04-29 Kyriakos Schwarz , Alicia Pliego-Mendieta , Amina Mollaysa , Lara Planas-Paz , Chantal Pauli , Ahmed Allam , Michael Krauthammer

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

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

The embedding of Biomedical Knowledge Graphs (BKGs) generates robust representations, valuable for a variety of artificial intelligence applications, including predicting drug combinations and reasoning disease-drug relationships.…

Databases · Computer Science 2023-10-17 Zhiguang Fan , Yuedong Yang , Mingyuan Xu , Hongming Chen

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

Drug discovery and development is a complex and costly process. Machine learning approaches are being investigated to help improve the effectiveness and speed of multiple stages of the drug discovery pipeline. Of these, those that use…

Artificial Intelligence · Computer Science 2022-09-27 Stephen Bonner , Ian P Barrett , Cheng Ye , Rowan Swiers , Ola Engkvist , Andreas Bender , Charles Tapley Hoyt , William L Hamilton

We propose an end-to-end model to predict drug-drug interactions (DDIs) by employing graph-augmented convolutional networks. And this is implemented by combining graph CNN with an attentive pooling network to extract structural relations…

Machine Learning · Computer Science 2025-07-01 Yi Zhong , Xueyu Chen , Yu Zhao , Xiaoming Chen , Tingfang Gao , Zuquan Weng

Biomedical Knowledge Graphs (BKGs) integrate diverse datasets to elucidate complex relationships within the biomedical field. Effective link prediction on these graphs can uncover valuable connections, such as potential novel drug-disease…

Computation and Language · Computer Science 2025-07-01 Tien Dang , Viet Thanh Duy Nguyen , Minh Tuan Le , Truong-Son Hy

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

Knowledge graph (KG) is used to represent data in terms of entities and structural relations between the entities. This representation can be used to solve complex problems such as recommendation systems and question answering. In this…

Artificial Intelligence · Computer Science 2022-12-09 Ajay Kumar Gogineni

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

Understanding how small molecules perturb gene expression is essential for uncovering drug mechanisms, predicting off-target effects, and identifying repurposing opportunities. While prior deep learning frameworks have integrated multimodal…

Machine Learning · Computer Science 2026-01-01 Pascal Passigan , Kevin Zhu , Angelina Ning

Drug-target relationships may now be predicted computationally using bioinformatics data, which is a valuable tool for understanding pharmacological effects, enhancing drug development efficiency, and advancing related research. A number of…

Machine Learning · Computer Science 2024-07-16 Yuhuan Zhou , Yulin Wu , Weiwei Yuan , Xuan Wang , Junyi Li

Adoption of recently developed methods from machine learning has given rise to creation of drug-discovery knowledge graphs (KG) that utilize the interconnected nature of the domain. Graph-based modelling of the data, combined with KG…

Machine Learning · Computer Science 2022-07-27 Stephen Bonner , Ufuk Kirik , Ola Engkvist , Jian Tang , Ian P Barrett

Relation-aware graph structure embedding is promising for predicting multi-relational drug-drug interactions (DDIs). Typically, most existing methods begin by constructing a multi-relational DDI graph and then learning relation-aware graph…

Machine Learning · Computer Science 2023-08-21 Mengying Jiang , Guizhong Liu , Biao Zhao , Yuanchao Su , Weiqiang Jin

The autonomous driving (AD) industry is exploring the use of knowledge graphs (KGs) to manage the vast amount of heterogeneous data generated from vehicular sensors. The various types of equipped sensors include video, LIDAR and RADAR.…

Artificial Intelligence · Computer Science 2020-03-03 Ruwan Wickramarachchi , Cory Henson , Amit Sheth

Drug repurposing is more relevant than ever due to drug development's rising costs and the need to respond to emerging diseases quickly. Knowledge graph embedding enables drug repurposing using heterogeneous data sources combined with…