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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

Knowledge graphs are powerful tools for representing and organising complex biomedical data. Several knowledge graph embedding algorithms have been proposed to learn from and complete knowledge graphs. However, a recent study demonstrates…

Knowledge Graphs have been one of the fundamental methods for integrating heterogeneous data sources. Integrating heterogeneous data sources is crucial, especially in the biomedical domain, where central data-driven tasks such as drug…

Machine Learning · Computer Science 2020-12-22 Islam Akef Ebeid , Majdi Hassan , Tingyi Wanyan , Jack Roper , Abhik Seal , Ying Ding

Biological systems are governed by structured molecular interactions, where pathways, regulatory circuits, and functional gene relationships shape cellular behavior and disease progression. Much of this knowledge is naturally represented as…

Machine Learning · Computer Science 2026-05-26 Yuwei Xue , Sakib Mostafa , James Zou , Joseph Liao , Maximilian Diehn , Ash A. Alizadeh , Lei Xing , Md. Tauhidul Islam

Motivation: Biomedical knowledge graphs (KGs) are crucial for drug discovery and disease understanding, yet their completion and reasoning are challenging. Knowledge Embedding (KE) methods capture global semantics but struggle with dynamic…

Artificial Intelligence · Computer Science 2025-07-23 Yitong Lin , Jiaying He , Jiahe Chen , Xinnan Zhu , Jianwei Zheng , Tao Bo

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

Knowledge graphs (KGs) have emerged as a powerful framework for representing and integrating complex biomedical information. However, assembling KGs from diverse sources remains a significant challenge in several aspects, including entity…

Machine Learning · Computer Science 2023-10-10 Yijia Xiao , Dylan Steinecke , Alexander Russell Pelletier , Yushi Bai , Peipei Ping , Wei Wang

Evidence-based medicine (EBM) plays a crucial role in the application of large language models (LLMs) in healthcare, as it provides reliable support for medical decision-making processes. Although it benefits from current…

Computation and Language · Computer Science 2025-03-24 Chengfeng Dou , Ying Zhang , Zhi Jin , Wenpin Jiao , Haiyan Zhao , Yongqiang Zhao , Zhengwei Tao

Biomedical datasets are often modeled as knowledge graphs (KGs) because they capture the multi-relational, heterogeneous, and dynamic natures of biomedical systems. KG completion (KGC), can, therefore, help researchers make predictions to…

Artificial Intelligence · Computer Science 2023-07-18 Lauren Nicole DeLong , Ramon Fernández Mir , Zonglin Ji , Fiona Niamh Coulter Smith , Jacques D. Fleuriot

Within clinical, biomedical, and translational science, an increasing number of projects are adopting graphs for knowledge representation. Graph-based data models elucidate the interconnectedness between core biomedical concepts, enable…

Trustworthiness and transparency are essential for the clinical adoption of artificial intelligence (AI) in healthcare and biomedical research. Recent deep research systems aim to accelerate evidence-grounded scientific discovery by…

Knowledge graphs (KGs) are gaining prominence in Healthcare AI, especially in drug discovery and pharmaceutical research as they provide a structured way to integrate diverse information sources, enhancing AI system interpretability. This…

Artificial Intelligence · Computer Science 2023-09-29 Satvik Garg , Shivam Parikh , Somya Garg

Knowledge graphs (KGs) are an important tool for representing complex relationships between entities in the biomedical domain. Several methods have been proposed for learning embeddings that can be used to predict new links in such graphs.…

Artificial Intelligence · Computer Science 2026-05-12 Daniel Daza , Dimitrios Alivanistos , Payal Mitra , Thom Pijnenburg , Michael Cochez , Paul Groth

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

Knowledge graphs and structural causal models have each proven valuable for organizing biomedical knowledge and estimating causal effects, but remain largely disconnected: knowledge graphs encode qualitative relationships focusing on facts…

Artificial Intelligence · Computer Science 2025-05-13 Sumyyah Toonsi , Paul Schofield , Robert Hoehndorf

Clinical evidence encompasses the associations and impacts between patients, interventions (such as drugs or physiotherapy), problems, and outcomes. The goal of recommending clinical evidence is to provide medical practitioners with…

Computation and Language · Computer Science 2023-04-05 Maolin Luo , Xiang Zhang

Diabetes is a worldwide health issue affecting millions of people. Machine learning methods have shown promising results in improving diabetes prediction, particularly through the analysis of diverse data types, namely gene expression data.…

Machine Learning · Computer Science 2024-04-24 Rita T. Sousa , Heiko Paulheim

Knowledge graphs (KGs), as structured representations of real world facts, are intelligent databases incorporating human knowledge that can help machine imitate the way of human problem solving. However, KGs are usually huge and there are…

Machine Learning · Computer Science 2023-06-27 Haotian Li , Hongri Liu , Yao Wang , Guodong Xin , Yuliang Wei

Biomedical knowledge graphs (BKGs) have emerged as powerful tools for organizing and leveraging the vast and complex data found across the biomedical field. Yet, current reviews of BKGs often limit their scope to specific domains or…

Computation and Language · Computer Science 2025-01-23 Yuxing Lu , Sin Yee Goi , Xukai Zhao , Jinzhuo Wang

Biomedical knowledge graphs (KG) are heterogenous networks consisting of biological entities as nodes and relations between them as edges. These entities and relations are extracted from millions of research papers and unified in a single…

Artificial Intelligence · Computer Science 2022-11-11 Dattaraj J. Rao , Shraddha S. Mane , Mukta A. Paliwal
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