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Biomedical knowledge graphs permit an integrative computational approach to reasoning about biological systems. The nature of biological data leads to a graph structure that differs from those typically encountered in benchmarking datasets.…

机器学习 · 计算机科学 2021-03-19 Yushan Liu , Marcel Hildebrandt , Mitchell Joblin , Martin Ringsquandl , Rime Raissouni , Volker Tresp

For Artificial Intelligence to have a greater impact in biology and medicine, it is crucial that recommendations are both accurate and transparent. In other domains, a neurosymbolic approach of multi-hop reasoning on knowledge graphs has…

机器学习 · 计算机科学 2022-10-10 Gavin Edwards , Sebastian Nilsson , Benedek Rozemberczki , Eliseo Papa

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…

We introduced a methodology to efficiently exploit natural-language expressed biomedical knowledge for repurposing existing drugs towards diseases for which they were not initially intended. Leveraging on developments in Computational…

定量方法 · 定量生物学 2014-06-17 Ruggero Gramatica , T. Di Matteo , Stefano Giorgetti , Massimo Barbiani , Dorian Bevec , Tomaso Aste

The paper utilizes the graph embeddings generated for entities of a large biomedical database to perform link prediction to capture various new relationships among different entities. A novel node similarity measure is proposed that…

信息检索 · 计算机科学 2021-11-01 Prakhar Gurawa , Matthias Nickles

A pharmacological effect of a drug on cells, organs and systems refers to the specific biochemical interaction produced by a drug substance, which is called its mechanism of action. Drug repositioning (or drug repurposing) is a fundamental…

机器学习 · 计算机科学 2020-05-19 Dehua Chen , Amir Jalilifard , Adriano Veloso , Nivio Ziviani

Drug repurposing is more relevant than ever due to drug development's rising costs and the need to respond to emerging diseases quickly. Knowledge graph embedding enables drug repurposing using heterogeneous data sources combined with…

Motivation: Drug repurposing is a viable solution for reducing the time and cost associated with drug development. However, thus far, the proposed drug repurposing approaches still need to meet expectations. Therefore, it is crucial to…

机器学习 · 计算机科学 2024-05-21 Ali Gharizadeh , Karim Abbasi , Amin Ghareyazi , Mohammad R. K. Mofrad , Hamid R. Rabiee

Knowledge graphs (KGs) are powerful tools for modelling complex, multi-relational data and supporting hypothesis generation, particularly in applications like drug repurposing. However, for predictive methods to gain acceptance as credible…

人工智能 · 计算机科学 2026-02-06 Susana Nunes , Samy Badreddine , Catia Pesquita

Answering questions that require multi-hop reasoning at web-scale necessitates retrieving multiple evidence documents, one of which often has little lexical or semantic relationship to the question. This paper introduces a new graph-based…

计算与语言 · 计算机科学 2020-02-17 Akari Asai , Kazuma Hashimoto , Hannaneh Hajishirzi , Richard Socher , Caiming Xiong

Knowledge Graph Embeddings (KGE) have become a quite popular class of models specifically devised to deal with ontologies and graph structure data, as they can implicitly encode statistical dependencies between entities and relations in a…

Multi-hop reasoning approaches over knowledge graphs infer a missing relationship between entities with a multi-hop rule, which corresponds to a chain of relationships. We extend existing works to consider a generalized form of multi-hop…

计算与语言 · 计算机科学 2020-10-06 Lu Zhang , Mo Yu , Tian Gao , Yue Yu

In this Master's thesis, the graph properties of a multi-level drug-protein network are studied, as well as how the network's shape has informed discoveries over the years, identifying primarily crawling discoveries and a smaller number of…

分子网络 · 定量生物学 2026-03-02 Felipe Bivort Haiek

In this study, we introduced a new benchmark consisting of a curated dataset and a defined evaluation process to assess the compositional reasoning capabilities of large language models within the chemistry domain. We designed and validated…

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…

人工智能 · 计算机科学 2022-11-11 Dattaraj J. Rao , Shraddha S. Mane , Mukta A. Paliwal

Objective: Disease knowledge graphs are a way to connect, organize, and access disparate information about diseases with numerous benefits for artificial intelligence (AI). To create knowledge graphs, it is necessary to extract knowledge…

机器学习 · 计算机科学 2022-09-01 Yucong Lin , Keming Lu , Sheng Yu , Tianxi Cai , Marinka Zitnik

Drug repurposing has attracted increasing attention from both the pharmaceutical industry and the research community. Many existing computational drug repurposing methods rely on preclinical data (e.g., chemical structures, drug targets),…

定量方法 · 定量生物学 2020-07-28 Qianlong Wen , Ruoqi Liu , Ping Zhang

Drug repositioning-a promising strategy for discovering new therapeutic uses for existing drugs-has been increasingly explored in the computational science literature using biomedical databases. However, the technological potential of drug…

人工智能 · 计算机科学 2024-07-25 Yongseung Jegal , Jaewoong Choi , Jiho Lee , Ki-Su Park , Seyoung Lee , Janghyeok Yoon

The intrinsic complexity of human biology presents ongoing challenges to scientific understanding. Researchers collaborate across disciplines to expand our knowledge of the biological interactions that define human life. AI methodologies…

Large language models (LLMs) are transforming the way information is retrieved with vast amounts of knowledge being summarized and presented via natural language conversations. Yet, LLMs are prone to highlight the most frequently seen…

计算与语言 · 计算机科学 2024-02-20 Julien Delile , Srayanta Mukherjee , Anton Van Pamel , Leonid Zhukov
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