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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

Biomedical knowledge graphs (KGs) hold rich information on entities such as diseases, drugs, and genes. Predicting missing links in these graphs can boost many important applications, such as drug design and repurposing. Recent work has…

Computation and Language · Computer Science 2021-09-22 Rahul Nadkarni , David Wadden , Iz Beltagy , Noah A. Smith , Hannaneh Hajishirzi , Tom Hope

With knowledge graphs (KGs) at the center of numerous applications such as recommender systems and question answering, the need for generalized pipelines to construct and continuously update such KGs is increasing. While the individual…

Artificial Intelligence · Computer Science 2024-09-05 Marvin Hofer , Daniel Obraczka , Alieh Saeedi , Hanna Köpcke , Erhard Rahm

This comprehensive review aims to provide an overview of the current state of Healthcare Knowledge Graphs (HKGs), including their construction, utilization models, and applications across various healthcare and biomedical research domains.…

Social media is a rich source of real-world data that captures valuable patient experience information for pharmacovigilance. However, mining data from unstructured and noisy social media content remains a challenging task. We present a…

Artificial Intelligence · Computer Science 2025-04-09 Zhijie Duan , Kai Wei , Zhaoqian Xue , Jiayan Zhou , Shu Yang , Siyuan Ma , Jin Jin , Lingyao li

Biomedical knowledge graphs (KGs) are widely used across research and translational settings, yet their design decisions and implementation are often opaque. Unlike ontologies that more frequently adhere to established creation principles,…

Knowledge graphs (KGs) serve as powerful tools for organizing and representing structured knowledge. While their utility is widely recognized, challenges persist in their automation and completeness. Despite efforts in automation and the…

Artificial Intelligence · Computer Science 2024-05-07 Mutahira Khalid , Raihana Rahman , Asim Abbas , Sushama Kumari , Iram Wajahat , Syed Ahmad Chan Bukhari

Building and analysing knowledge graphs (KGs) to aid drug discovery is a topical area of research. A salient feature of KGs is their ability to combine many heterogeneous data sources in a format that facilitates discovering connections.…

Computation and Language · Computer Science 2023-10-25 J. Charles G. Jeynes , Tim James , Matthew Corney

There is enormous growth in various fields of research. This development is accompanied by new problems. To solve these problems efficiently and in an optimized manner, algorithms are created and described by researchers in the scientific…

Artificial Intelligence · Computer Science 2022-05-27 Jyotima Patel , Biswanath Dutta

The automatic construction of knowledge graphs (KGs) is an important research area in medicine, with far-reaching applications spanning drug discovery and clinical trial design. These applications hinge on the accurate identification of…

Computation and Language · Computer Science 2025-01-30 Vahan Arsenyan , Spartak Bughdaryan , Fadi Shaya , Kent Small , Davit Shahnazaryan

We study how to impose domain-consistent structure on large language models (LLMs) used for scientific reasoning and early-stage drug discovery. We present MedRule-KG, a compact knowledge-graph scaffold paired with a lightweight verifier…

Artificial Intelligence · Computer Science 2025-12-15 Crystal Su

Electronic Health Records (EHRs) and routine documentation practices play a vital role in patients' daily care, providing a holistic record of health, diagnoses, and treatment. However, complex and verbose EHR narratives overload healthcare…

Computation and Language · Computer Science 2025-02-26 Yanjun Gao , Ruizhe Li , Emma Croxford , John Caskey , Brian W Patterson , Matthew Churpek , Timothy Miller , Dmitriy Dligach , Majid Afshar

Large language models (LLMs) offer new opportunities for constructing knowledge graphs (KGs) from unstructured clinical narratives. However, existing approaches often rely on structured inputs and lack robust validation of factual accuracy…

Artificial Intelligence · Computer Science 2026-01-06 Udiptaman Das , Krishnasai B. Atmakuri , Duy Ho , Chi Lee , Yugyung Lee

The role of pharmacists is evolving from medicine dispensing to delivering comprehensive pharmaceutical services within multidisciplinary healthcare teams. Central to this shift is access to accurate, up-to-date medicinal product…

Artificial Intelligence · Computer Science 2025-06-24 Lizzy Farrugia , Lilian M. Azzopardi , Jeremy Debattista , Charlie Abela

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 a powerful approach for integrating heterogeneous data and making inferences in biology and many other domains, but a coherent solution for constructing, exchanging, and facilitating the downstream use of…

The rapid expansion of medical literature presents growing challenges for structuring and integrating domain knowledge at scale. Knowledge Graphs (KGs) offer a promising solution by enabling efficient retrieval, automated reasoning, and…

Computation and Language · Computer Science 2025-08-20 Duzhen Zhang , Zixiao Wang , Zhong-Zhi Li , Yahan Yu , Shuncheng Jia , Jiahua Dong , Haotian Xu , Xing Wu , Yingying Zhang , Tielin Zhang , Jie Yang , Xiuying Chen , Le Song

Biomedical knowledge is fragmented across siloed databases -- Reactome for pathways, STRING for protein interactions, ClinicalTrials.gov for study registries, DrugBank for drug vocabularies, DGIdb for drug-gene interactions, SIDER for side…

Databases · Computer Science 2026-03-19 Madhulatha Mandarapu , Sandeep Kunkunuru

The increasing reliance on Large Language Models (LLMs) for health information seeking can pose severe risks due to the potential for misinformation and the complexity of these topics. This paper introduces KNOWNET a visualization system…

Human-Computer Interaction · Computer Science 2024-09-27 Youfu Yan , Yu Hou , Yongkang Xiao , Rui Zhang , Qianwen Wang

Large Language Models (LLMs) are being adopted at an unprecedented rate, yet still face challenges in knowledge-intensive domains like biomedicine. Solutions such as pre-training and domain-specific fine-tuning add substantial computational…

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