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相关论文: Developing a Knowledge Graph Framework for Pharmac…

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It is a common practice in modern medicine to prescribe multiple medications simultaneously to treat diseases. However, these medications could have adverse reactions between them, known as Drug-Drug Interactions (DDI), which have the…

机器学习 · 计算机科学 2024-12-10 Azwad Tamir , Jiann-Shiun Yuan

In the last decades, people have been consuming and combining more drugs than before, increasing the number of Drug-Drug Interactions (DDIs). To predict unknown DDIs, recently, studies started incorporating Knowledge Graphs (KGs) since they…

人工智能 · 计算机科学 2023-08-14 Lizzy Farrugia , Lilian M. Azzopardi , Jeremy Debattista , Charlie Abela

Interference between pharmacological substances can cause serious medical injuries. Correctly predicting so-called drug-drug interactions (DDI) does not only reduce these cases but can also result in a reduction of drug development cost.…

机器学习 · 计算机科学 2019-08-06 Md. Rezaul Karim , Michael Cochez , Joao Bosco Jares , Mamtaz Uddin , Oya Beyan , Stefan Decker

The "RNA world" represents a novel frontier for the study of fundamental biological processes and human diseases and is paving the way for the development of new drugs tailored to the patient's biomolecular characteristics. Although…

The embedding of Biomedical Knowledge Graphs (BKGs) generates robust representations, valuable for a variety of artificial intelligence applications, including predicting drug combinations and reasoning disease-drug relationships.…

数据库 · 计算机科学 2023-10-17 Zhiguang Fan , Yuedong Yang , Mingyuan Xu , Hongming Chen

OBJECTIVE: Leverage existing biomedical NLP tools and DS domain terminology to produce a novel and comprehensive knowledge graph containing dietary supplement (DS) information for discovering interactions between DS and drugs, or…

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.…

计算与语言 · 计算机科学 2023-10-25 J. Charles G. Jeynes , Tim James , Matthew Corney

Accurate prediction of drug-drug interactions (DDI) is crucial for medication safety and effective drug development. However, existing methods often struggle to capture structural information across different scales, from local functional…

机器学习 · 计算机科学 2026-03-27 Zimo Yan , Jie Zhang , Zheng Xie , Yiping Song , Hao Li

Off-the-shelf biomedical embeddings obtained from the recently released various pre-trained language models (such as BERT, XLNET) have demonstrated state-of-the-art results (in terms of accuracy) for the various natural language…

计算与语言 · 计算机科学 2020-12-22 Ishani Mondal

Drug-drug interactions (DDIs) are a major concern in clinical practice, as they can lead to reduced therapeutic efficacy or severe adverse effects. Traditional computational approaches often struggle to capture the complex relationships…

机器学习 · 计算机科学 2025-08-27 Hongbo Liu , Siyi Li , Zheng Yu

In this paper, we present Knowledge4COVID-19, a framework that aims to showcase the power of integrating disparate sources of knowledge to discover adverse drug effects caused by drug-drug interactions among COVID-19 treatments and…

Drug-drug interactions (DDIs) remain a major source of preventable harm, and many clinically important mechanisms are still unknown. Existing models either rely on pharmacologic knowledge graphs (KGs), which fail on unseen drugs, or on…

机器学习 · 计算机科学 2025-11-11 Franklin Lee , Tengfei Ma

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…

人工智能 · 计算机科学 2025-05-13 Sumyyah Toonsi , Paul Schofield , Robert Hoehndorf

Thanks to the increasing availability of drug-drug interactions (DDI) datasets and large biomedical knowledge graphs (KGs), accurate detection of adverse DDI using machine learning models becomes possible. However, it remains largely an…

机器学习 · 计算机科学 2021-05-10 Yue Yu , Kexin Huang , Chao Zhang , Lucas M. Glass , Jimeng Sun , Cao Xiao

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…

人工智能 · 计算机科学 2023-09-29 Satvik Garg , Shivam Parikh , Somya Garg

Minimizing adverse reactions caused by drug-drug interactions has always been a momentous research topic in clinical pharmacology. Detecting all possible interactions through clinical studies before a drug is released to the market is a…

人工智能 · 计算机科学 2018-03-13 Meng Wang

Network pharmacology (NP) explores pharmacological mechanisms through biological networks. Multi-omics data enable multi-layer network construction under diverse conditions, requiring integration into NP analyses. We developed POINT, a…

分子网络 · 定量生物学 2025-03-11 Zihao He , Liu Liu , Dongchen Han , Kai Gao , Lei Dong , Dechao Bu , Peipei Huo , Zhihao Wang , Wenxin Deng , Jingjia Liu , Jin-cheng Guo , Yi Zhao , Yang Wu

Background: Discovering potential drug-drug interactions (DDIs) is a long-standing challenge in clinical treatments and drug developments. Recently, deep learning techniques have been developed for DDI prediction. However, they generally…

机器学习 · 计算机科学 2024-03-20 Yaqing Wang , Zaifei Yang , Quanming Yao

Drug-drug interactions (DDIs) arise when multiple drugs are administered concurrently. Accurately predicting the specific mechanisms underlying DDIs (named DDI events or DDIEs) is critical for the safe clinical use of drugs. DDIEs are…

生物大分子 · 定量生物学 2025-07-28 Ziyan Wang , Zhankun Xiong , Feng Huang , Wen Zhang

Molecular interaction prediction plays a crucial role in forecasting unknown interactions between molecules, such as drug-target interaction (DTI) and drug-drug interaction (DDI), which are essential in the field of drug discovery and…

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