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Predicting interactions among heterogenous graph structured data has numerous applications such as knowledge graph completion, recommendation systems and drug discovery. Often times, the links to be predicted belong to rare types such as…

Machine Learning · Computer Science 2020-07-21 Vassilis N. Ioannidis , Da Zheng , George Karypis

Adverse drug-drug interactions~(DDIs) can compromise the effectiveness of concurrent drug administration, posing a significant challenge in healthcare. As the development of new drugs continues, the potential for unknown adverse effects…

Computation and Language · Computer Science 2024-03-14 Fangqi Zhu , Yongqi Zhang , Lei Chen , Bing Qin , Ruifeng Xu

Motivation: Identifying drug-target interactions (DTIs) is a key step in drug repositioning. In recent years, the accumulation of a large number of genomics and pharmacology data has formed mass drug and target related heterogeneous…

Machine Learning · Computer Science 2022-10-19 Hongzhun Wang , Feng Huang , Wen Zhang

Developing high-performance entity normalization algorithms that can alleviate the term variation problem is of great interest to the biomedical community. Although deep learning-based methods have been successfully applied to biomedical…

Information Retrieval · Computer Science 2019-08-12 Zongcheng Ji , Qiang Wei , Hua Xu

Pharmacokinetic natural product-drug interactions (NPDIs) occur when botanical natural products are co-consumed with pharmaceutical drugs. Understanding mechanisms of NPDIs is key to preventing adverse events. We constructed a knowledge…

Knowledge Graph has been proven effective in modeling structured information and conceptual knowledge, especially in the medical domain. However, the lack of high-quality annotated corpora remains a crucial problem for advancing the…

Computation and Language · Computer Science 2021-09-22 Dejie Chang , Mosha Chen , Chaozhen Liu , Liping Liu , Dongdong Li , Wei Li , Fei Kong , Bangchang Liu , Xiaobin Luo , Ji Qi , Qiao Jin , Bin Xu

Deep learning (DL) based predictive models from electronic health records (EHR) deliver impressive performance in many clinical tasks. Large training cohorts, however, are often required to achieve high accuracy, hindering the adoption of…

Computation and Language · Computer Science 2020-05-27 Laila Rasmy , Yang Xiang , Ziqian Xie , Cui Tao , Degui Zhi

Neuroscience research publications encompass a vast wealth of knowledge. Accurately retrieving existing information and discovering new insights from this extensive literature is essential for advancing the field. However, when knowledge is…

Computation and Language · Computer Science 2025-10-28 Pralaypati Ta , Sriram Venkatesaperumal , Keerthi Ram , Mohanasankar Sivaprakasam

We present a novel extension to embedding-based knowledge graph completion models which enables them to perform open-world link prediction, i.e. to predict facts for entities unseen in training based on their textual description. Our model…

Artificial Intelligence · Computer Science 2020-01-10 Haseeb Shah , Johannes Villmow , Adrian Ulges , Ulrich Schwanecke , Faisal Shafait

Pharmacovigilance and clinical decision support systems utilize structured drug safety data to guide medical practice. However, existing datasets frequently depend on terminologies such as MedDRA, which limits their semantic reasoning…

Information Retrieval · Computer Science 2026-02-24 Mohammad Ashhad , Olga Mashkova , Ricardo Henao , Robert Hoehndorf

Drug-target interaction (DTI) prediction has become a foundational task in drug repositioning, polypharmacology, drug discovery, as well as drug resistance and side-effect prediction. DTI identification using machine learning is gaining…

Quantitative Methods · Quantitative Biology 2023-11-17 Konstantin Y. Kalitin , Alexey A. Nevzorov , Denis A. Babkov , Alexander A. Spasov , Olga Y. Mukha

Pre-trained transformer language models (LMs) have in recent years become the dominant paradigm in applied NLP. These models have achieved state-of-the-art performance on tasks such as information extraction, question answering, sentiment…

Computation and Language · Computer Science 2025-04-14 Aidan Mannion , Thierry Chevalier , Didier Schwab , Lorraine Geouriot

Constructing domain-specific knowledge graphs from unstructured text remains challenging due to heterogeneous entity mentions, long-tail relation distributions, and the absence of standardized schemas. We present LEC-KG, a bidirectional…

Computation and Language · Computer Science 2026-03-02 Yikai Zeng , Yingchao Piao , Changhua Pei , Jianhui Li

Recently, the performance of Pre-trained Language Models (PLMs) has been significantly improved by injecting knowledge facts to enhance their abilities of language understanding. For medical domains, the background knowledge sources are…

Computation and Language · Computer Science 2021-08-23 Taolin Zhang , Zerui Cai , Chengyu Wang , Minghui Qiu , Bite Yang , Xiaofeng He

We study the problem of embedding-based entity alignment between knowledge graphs (KGs). Previous works mainly focus on the relational structure of entities. Some further incorporate another type of features, such as attributes, for…

Artificial Intelligence · Computer Science 2019-06-07 Qingheng Zhang , Zequn Sun , Wei Hu , Muhao Chen , Lingbing Guo , Yuzhong Qu

Currently, there is a rapidly increasing need for high-quality biomedical knowledge graphs (BioKG) that provide direct and precise biomedical knowledge. In the context of COVID-19, this issue is even more necessary to be highlighted.…

Artificial Intelligence · Computer Science 2020-12-03 Sendong Zhao , Bing Qin , Ting Liu , Fei Wang

Repurposing existing drugs to treat new diseases is a cost-effective alternative to de novo drug development, but there are millions of potential drug-disease combinations to be considered with only a small fraction being viable. In silico…

Quantitative Methods · Quantitative Biology 2025-10-24 Austin Polanco , M. E. J. Newman

Monitoring the administration of drugs and adverse drug reactions are key parts of pharmacovigilance. In this paper, we explore the extraction of drug mentions and drug-related information (reason for taking a drug, route, frequency,…

Computation and Language · Computer Science 2019-09-24 Maksim Belousov , Nikola Milosevic , Ghada Alfattni , Haifa Alrdahi , Goran Nenadic

The prediction modeling of drug-target interactions is crucial to drug discovery and design, which has seen rapid advancements owing to deep learning technologies. Recently developed methods, such as those based on graph neural networks…

Quantitative Methods · Quantitative Biology 2025-11-19 Xinnan Zhang , Jialin Wu , Junyi Xie , Tianlong Chen , Kaixiong Zhou

Recent breakthroughs in generative modeling have demonstrated remarkable capabilities in molecular generation, yet the integration of comprehensive biomedical knowledge into these models has remained an untapped frontier. In this study, we…

Machine Learning · Computer Science 2025-10-14 Aditya Malusare , Vineet Punyamoorty , Vaneet Aggarwal
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