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Related papers: Developing a Knowledge Graph Framework for Pharmac…

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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

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

Peptides offer great biomedical potential and serve as promising drug candidates. Currently, the majority of approved peptide drugs are directly derived from well-explored natural human peptides. It is quite necessary to utilize advanced…

Biomolecules · Quantitative Biology 2024-01-29 Yipin Lei , Xu Wang , Meng Fang , Han Li , Xiang Li , Jianyang Zeng

Knowledge graphs (KGs) are the cornerstone of the semantic web, offering up-to-date representations of real-world entities and relations. Yet large language models (LLMs) remain largely static after pre-training, causing their internal…

Computation and Language · Computer Science 2026-03-24 Songlin Zhai , Guilin Qi , Yue Wang , Yuan Meng

Qualitative attributes of the region between order and disorder are examined to explore models of genetic and protein networks. Results show how the connectivity of vertices and the strength of their connections are related and how their…

Condensed Matter · Physics 2007-05-23 S. Bumble , F. Friedler , L. T. Fan

Incorporating Knowledge Graphs (KG) into recommeder system has attracted considerable attention. Recently, the technical trend of Knowledge-aware Recommendation (KGR) is to develop end-to-end models based on graph neural networks (GNNs).…

Information Retrieval · Computer Science 2022-08-23 Ding Zou , Wei Wei , Ziyang Wang , Xian-Ling Mao , Feida Zhu , Rui Fang , Dangyang Chen

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

In recent years, Natural Language Processing (NLP) has played a significant role in various Artificial Intelligence (AI) applications such as chatbots, text generation, and language translation. The emergence of large language models (LLMs)…

Computation and Language · Computer Science 2024-07-10 Amanda Kau , Xuzeng He , Aishwarya Nambissan , Aland Astudillo , Hui Yin , Amir Aryani

As research in Artificial Intelligence and Data Science continues to grow in volume and complexity, it becomes increasingly difficult to ensure transparency, reproducibility, and discoverability. To address these challenges, as research…

Predicting diseases solely from patient-side information, such as demographics and self-reported symptoms, has attracted significant research attention due to its potential to enhance patient awareness, facilitate early healthcare…

Artificial Intelligence · Computer Science 2025-12-10 Yibowen Zhao , Yinan Zhang , Zhixiang Su , Lizhen Cui , Chunyan Miao

Understanding how prenatal exposure to psychoactive substances such as cannabis shapes adolescent brain organization remains a critical challenge, complicated by the complexity of multimodal neuroimaging data and the limitations of…

Neurons and Cognition · Quantitative Biology 2026-01-27 Badhan Mazumder , Aline Kotoski , Vince D. Calhoun , Dong Hye Ye

The development of deep neural networks has improved representation learning in various domains, including textual, graph structural, and relational triple representations. This development opened the door to new relation extraction beyond…

Computation and Language · Computer Science 2022-12-22 Masaki Asada

Understanding how molecular alterations propagate across biological systems to drive disease remains a central challenge. Although high-throughput profiling enables comprehensive characterization of tumor states, most models neglect…

Quantitative Methods · Quantitative Biology 2026-05-11 Kyle Higgins , Guadalupe Gonzalez , Dennis Veselkov , Ivan Laponogov , Kirill Veselkov

Traditional Chinese Medicine (TCM) involves complex compatibility mechanisms characterized by multi-component and multi-target interactions, which are challenging to quantify. To address this challenge, we applied graph artificial…

Machine Learning · Computer Science 2024-12-11 Jingqi Zeng , Xiaobin Jia

Knowledge graphs (KGs) serve as a vital backbone for a wide range of AI applications, including natural language understanding and recommendation. A promising yet underexplored direction is numerical reasoning over KGs, which involves…

Artificial Intelligence · Computer Science 2026-04-21 Ming Yin , Zongsheng Cao , Qiqing Xia , Chenyang Tu , Neng Gao

Since multidrug combination is widely applied, the accurate prediction of drug-drug interaction (DDI) is becoming more and more critical. In our method, we use graph to represent drug-drug interaction: nodes represent drug; edges represent…

Machine Learning · Computer Science 2022-09-01 Haifan zhou , Wenjing Zhou , Junfeng Wu

Metabolic diseases such as type 2 diabetes and obesity represent a rapidly escalating global health burden, yet current therapeutic strategies largely target isolated symptoms or single molecular pathways. To this end, we developed an…

In Knowledge Graphs (KGs), where the schema of the data is usually defined by particular ontologies, reasoning is a necessity to perform a range of tasks, such as retrieval of information, question answering, and the derivation of new…

Artificial Intelligence · Computer Science 2025-02-27 Anastasios Nentidis , Charilaos Akasiadis , Angelos Charalambidis , Alexander Artikis

Knowledge Graph (KG) reasoning, which aims to infer new facts from structured knowledge repositories, plays a vital role in Natural Language Processing (NLP) systems. Its effectiveness critically depends on constructing informative and…

Machine Learning · Computer Science 2025-08-26 Enjun Du , Siyi Liu , Yongqi Zhang

The Interaction between Drugs and Targets (DTI) in human body plays a crucial role in biomedical science and applications. As millions of papers come out every year in the biomedical domain, automatically discovering DTI knowledge from…

Computation and Language · Computer Science 2021-09-28 Yutai Hou , Yingce Xia , Lijun Wu , Shufang Xie , Yang Fan , Jinhua Zhu , Wanxiang Che , Tao Qin , Tie-Yan Liu
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