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Network science is already making an impact on the study of complex systems and offers a promising variety of tools to understand their formation and evolution (1-4) in many disparate fields from large communication networks (5,6),…

Biomolecules · Quantitative Biology 2007-11-13 Jose C Nacher , Jean-Marc Schwartz

Relation extraction is an important but challenging task that aims to extract all hidden relational facts from the text. With the development of deep language models, relation extraction methods have achieved good performance on various…

Computation and Language · Computer Science 2022-08-17 Sheng Zhang , Patrick Ng , Zhiguo Wang , Bing Xiang

Drug discovery (DD) has tremendously contributed to maintaining and improving public health. Hypothesizing that inhibiting protein misfolding can slow disease progression, researchers focus on target identification (Target ID) to find…

Quantitative Methods · Quantitative Biology 2025-01-29 Ziwen Li , Xiang 'Anthony' Chen , Youngseung Jeon

The extraction of biomedical data has significant academic and practical value in contemporary biomedical sciences. In recent years, drug repositioning, a cost-effective strategy for drug development by discovering new indications for…

Machine Learning · Computer Science 2025-01-20 Enqiang Zhu , Xiang Li , Chanjuan Liu , Nikhil R. Pal

Developing and discovering new drugs is a complex and resource-intensive endeavor that often involves substantial costs, time investment, and safety concerns. A key aspect of drug discovery involves identifying novel drug-target (DT)…

Machine Learning · Computer Science 2024-02-13 Rakesh Bal , Yijia Xiao , Wei Wang

Joint entity-relation extraction is a critical task in transforming unstructured or semi-structured text into triplets, facilitating the construction of large-scale knowledge graphs, and supporting various downstream applications. Despite…

Computation and Language · Computer Science 2025-02-14 Danni Feng , Runzhi Li , Jing Wang , Siyu Yan , Lihong Ma , Yunli Xing

Sampling is an established technique to scale graph neural networks to large graphs. Current approaches however assume the graphs to be homogeneous in terms of relations and ignore relation types, critically important in biomedical graphs.…

Machine Learning · Computer Science 2021-05-31 Arthur Feeney , Rishabh Gupta , Veronika Thost , Rico Angell , Gayathri Chandu , Yash Adhikari , Tengfei Ma

Thanks to the increasing availability of drug-drug interactions (DDI) datasets and large biomedical knowledge graphs (KGs), accurate detection of adverse DDI using machine learning models becomes possible. However, it remains largely an…

Machine Learning · Computer Science 2021-05-10 Yue Yu , Kexin Huang , Chao Zhang , Lucas M. Glass , Jimeng Sun , Cao Xiao

Constructing large-scaled medical knowledge graphs can significantly boost healthcare applications for medical surveillance, bring much attention from recent research. An essential step in constructing large-scale MKG is extracting…

Computer Vision and Pattern Recognition · Computer Science 2021-10-27 Jialun Wu , Yang Liu , Zeyu Gao , Tieliang Gong , Chunbao Wang , Chen Li

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

Predicting drug-gene associations is crucial for drug development and disease treatment. While graph neural networks (GNN) have shown effectiveness in this task, they face challenges with data sparsity and efficient contrastive learning…

Machine Learning · Computer Science 2025-02-14 Jiayang Wu , Wensheng Gan , Philip S. Yu

The widespread application of Electronic Health Records (EHR) data in the medical field has led to early successes in disease risk prediction using deep learning methods. These methods typically require extensive data for training due to…

Machine Learning · Computer Science 2024-11-28 Shibo Li , Hengliang Cheng , Weihua Li

Interacting systems are ubiquitous in nature and engineering, ranging from particle dynamics in physics to functionally connected brain regions. These interacting systems can be modeled by graphs where edges correspond to the interactions…

Machine Learning · Computer Science 2024-01-25 Zhichao Han , Olga Fink , David S. Kammer

Drug-target interaction (DTI) prediction is crucial for drug development and repositioning. Methods using heterogeneous graph neural networks (HGNNs) for DTI prediction have become a promising approach, with attention-based models often…

Biomolecules · Quantitative Biology 2024-11-05 Junwei Hu , Michael Bewong , Selasi Kwashie , Wen Zhang , Vincent M. Nofong , Guangsheng Wu , Zaiwen Feng

In this paper we study the practicality and usefulness of incorporating distributed representations of graphs into models within the context of drug pair scoring. We argue that the real world growth and update cycles of drug pair scoring…

Machine Learning · Computer Science 2022-11-28 Paul Scherer , Pietro Liò , Mateja Jamnik

Document-level relation extraction aims to extract relations among entities within a document. Compared with its sentence-level counterpart, Document-level relation extraction requires inference over multiple sentences to extract complex…

Computation and Language · Computer Science 2022-08-05 Liang Zhang , Yidong Cheng

Motivation: Drug discovery demands rapid quantification of compound-protein interaction (CPI). However, there is a lack of methods that can predict compound-protein affinity from sequences alone with high applicability, accuracy, and…

Biomolecules · Quantitative Biology 2020-12-17 Mostafa Karimi , Di Wu , Zhangyang Wang , Yang Shen

Over the years several studies have demonstrated the ability to identify potential drug-drug interactions via data mining from the literature (MEDLINE), electronic health records, public databases (Drugbank), etc. While each one of these…

Computers and Society · Computer Science 2015-07-21 Juan M. Banda , Tobias Kuhn , Nigam H. Shah , Michel Dumontier

It is a common practice in modern medicine to prescribe multiple medications simultaneously to treat diseases. However, these medications could have adverse reactions between them, known as Drug-Drug Interactions (DDI), which have the…

Machine Learning · Computer Science 2024-12-10 Azwad Tamir , Jiann-Shiun Yuan

Online social networks, World Wide Web, media and technological networks, and other types of so-called information networks are ubiquitous nowadays. These information networks are inherently heterogeneous and dynamic. They are heterogeneous…

Social and Information Networks · Computer Science 2020-06-08 Sina Sajadmanesh , Sogol Bazargani , Jiawei Zhang , Hamid R. Rabiee
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