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Accurately predicting drug-target interactions (DTIs) is pivotal for advancing drug discovery and target validation techniques. While machine learning approaches including those that are based on Graph Neural Networks (GNN) have achieved…

Machine Learning · Computer Science 2025-09-30 Yuehua Song , Yong Gao

Drug repositioning offers an effective solution to drug discovery, saving both time and resources by finding new indications for existing drugs. Typically, a drug takes effect via its protein targets in the cell. As a result, it is…

Quantitative Methods · Quantitative Biology 2018-11-26 Maryam Lotfi Shahreza , Nasser Ghadiri , Seyed Rasul Mossavi , Jaleh Varshosaz , James Green

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

Predicting drug-drug interactions (DDIs) is essential for safe pharmacological treatments. Previous graph neural network (GNN) models leverage molecular structures and interaction networks but mostly rely on linear aggregation and symmetric…

Machine Learning · Computer Science 2026-02-04 Kunyi Fan , Mengjie Chen , Longlong Li , Cunquan Qu

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

The extraction of chemical-gene relations plays a pivotal role in understanding the intricate interactions between chemical compounds and genes, with significant implications for drug discovery, disease understanding, and biomedical…

Computation and Language · Computer Science 2026-02-05 Mai H. Nguyen , Shibani Likhite , Jiawei Tang , Darshini Mahendran , Bridget T. McInnes

Adverse drug reactions / events (ADR/ADE) have a major impact on patient health and health care costs. Detecting ADR's as early as possible and sharing them with regulators, pharma companies, and healthcare providers can prevent morbidity…

Computation and Language · Computer Science 2022-01-07 Hasham Ul Haq , Veysel Kocaman , David Talby

Diabetic Retinopathy (DR) is a leading cause of vision loss in the world, and early DR detection is necessary to prevent vision loss and support an appropriate treatment. In this work, we leverage interactive machine learning and introduce…

Joint entity and relation extraction is the fundamental task of information extraction, consisting of two subtasks: named entity recognition and relation extraction. However, most existing joint extraction methods suffer from issues of…

Computation and Language · Computer Science 2024-03-28 Wenjun Kong , Yamei Xia

Patients with Acute Kidney Injury (AKI) increase mortality, morbidity, and long-term adverse events. Therefore, early identification of AKI may improve renal function recovery, decrease comorbidities, and further improve patients' survival.…

Applications · Statistics 2020-07-08 Bowen Kuo , Yihuang Kang , Pinghsung Wu , Sheng-Tai Huang , Yajie Huang

More and more evidence has shown that strengthening layer interactions can enhance the representation power of a deep neural network, while self-attention excels at learning interdependencies by retrieving query-activated information.…

Computer Vision and Pattern Recognition · Computer Science 2023-03-01 Yanwen Fang , Yuxi Cai , Jintai Chen , Jingyu Zhao , Guangjian Tian , Guodong Li

Drug-drug interaction prediction is a crucial issue in molecular biology. Traditional methods of observing drug-drug interactions through medical experiments require significant resources and labor. This paper presents a medical knowledge…

Computation and Language · Computer Science 2024-07-29 Peng Gao , Feng Gao , Jian-Cheng Ni , Yu Wang , Fei Wang

We advance the state of the art in biomolecular interaction extraction with three contributions: (i) We show that deep, Abstract Meaning Representations (AMR) significantly improve the accuracy of a biomolecular interaction extraction…

Computation and Language · Computer Science 2015-12-08 Sahil Garg , Aram Galstyan , Ulf Hermjakob , Daniel Marcu

Clinical texts, represented in electronic medical records (EMRs), contain rich medical information and are essential for disease prediction, personalised information recommendation, clinical decision support, and medication pattern mining…

Computation and Language · Computer Science 2023-10-10 Hangyu Tu , Lifeng Han , Goran Nenadic

Traditional relational databases contain a lot of latent semantic information that have largely remained untapped due to the difficulty involved in automatically extracting such information. Recent works have proposed unsupervised machine…

Drug recommendation is an essential task in machine learning-based clinical decision support systems. However, the risk of drug-drug interactions (DDI) between co-prescribed medications remains a significant challenge. Previous studies have…

Machine Learning · Computer Science 2025-10-10 Chongmyung Kwon , Yujin Kim , Seoeun Park , Yunji Lee , Charmgil Hong

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

State of the art models using deep neural networks have become very good in learning an accurate mapping from inputs to outputs. However, they still lack generalization capabilities in conditions that differ from the ones encountered during…

Computation and Language · Computer Science 2018-08-28 Alexey Romanov , Chaitanya Shivade

Automatically extracting Protein-Protein Interactions (PPI) from biomedical literature provides additional support for precision medicine efforts. This paper proposes a novel memory network-based model (MNM) for PPI extraction, which…

Computation and Language · Computer Science 2020-01-08 Huiwei Zhou , Zhuang Liu , Shixian Ning , Yunlong Yang , Chengkun Lang , Yingyu Lin , Kun Ma

Recurrent neural nets (RNN) and convolutional neural nets (CNN) are widely used on NLP tasks to capture the long-term and local dependencies, respectively. Attention mechanisms have recently attracted enormous interest due to their highly…

Computation and Language · Computer Science 2017-11-22 Tao Shen , Tianyi Zhou , Guodong Long , Jing Jiang , Shirui Pan , Chengqi Zhang
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