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相关论文: Drug-Drug Adverse Effect Prediction with Graph Co-…

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Polypharmacy, defined as the use of multiple drugs together, is a standard treatment method, especially for severe and chronic diseases. However, using multiple drugs together may cause interactions between drugs. Drug-drug interaction…

机器学习 · 计算机科学 2022-07-13 Farhan Tanvir , Khaled Mohammed Saifuddin , Esra Akbas

The use of multiple drugs accounts for almost 30% of all hospital admission and is the 5th leading cause of death in America. Since over 30% of all adverse drug events (ADEs) are thought to be caused by drug-drug interactions (DDI), better…

定量方法 · 定量生物学 2020-09-02 Ricky Wang

Recent advances and achievements of artificial intelligence (AI) as well as deep and graph learning models have established their usefulness in biomedical applications, especially in drug-drug interactions (DDIs). DDIs refer to a change in…

Drug-drug interaction (DDI) is a vital information when physicians and pharmacists intend to co-administer two or more drugs. Thus, several DDI databases are constructed to avoid mistakenly combined use. In recent years, automatically…

计算与语言 · 计算机科学 2017-05-19 Zibo Yi , Shasha Li , Jie Yu , Qingbo Wu

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

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

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

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

Drug combinations can cause adverse drug-drug interactions(DDIs). Identifying specific effects is crucial for developing safer therapies. Previous works on DDI event prediction have typically been limited to using labels of specific events…

生物大分子 · 定量生物学 2024-11-05 Yingying Wang , Yun Xiong , Xixi Wu , Xiangguo Sun , Jiawei Zhang

Predicting drug side-effects before they occur is a key task in keeping the number of drug-related hospitalizations low and to improve drug discovery processes. Automatic predictors of side-effects generally are not able to process the…

机器学习 · 统计学 2022-12-01 Pietro Bongini , Elisa Messori , Niccolò Pancino , Monica Bianchini

The use of drug combinations, termed polypharmacy, is common to treat patients with complex diseases and co-existing conditions. However, a major consequence of polypharmacy is a much higher risk of adverse side effects for the patient.…

机器学习 · 计算机科学 2018-08-15 Marinka Zitnik , Monica Agrawal , Jure Leskovec

Adverse drug reactions (ADRs) induced from high-order drug-drug interactions (DDIs) due to polypharmacy represent a significant public health problem. In this paper, we formally formulate the to-avoid and safe (with respect to ADRs) drug…

信息检索 · 计算机科学 2018-03-09 Wen-Hao Chiang , Li Shen , Lang Li , Xia Ning

Background: Drug-drug interactions (DDIs) refer to processes triggered by the administration of two or more drugs leading to side effects beyond those observed when drugs are administered by themselves. Due to the massive number of possible…

定量方法 · 定量生物学 2020-12-25 Kyriakos Schwarz , Ahmed Allam , Nicolas Andres Perez Gonzalez , Michael Krauthammer

Motivation: Predicting Drug-Target Interaction (DTI) is a well-studied topic in bioinformatics due to its relevance in the fields of proteomics and pharmaceutical research. Although many machine learning methods have been successfully…

定量方法 · 定量生物学 2021-07-14 Haiyang Wang , Guangyu Zhou , Siqi Liu , Jyun-Yu Jiang , Wei Wang

Polypharmacy, the concurrent use of multiple drugs to treat a single condition, is common in patients managing multiple or complex conditions. However, as more drugs are added to the treatment plan, the risk of adverse drug events (ADEs)…

机器学习 · 计算机科学 2025-06-12 Natalie Wang , Casey Overby Taylor

Drug Side-Effects (DSEs) have a high impact on public health, care system costs, and drug discovery processes. Predicting the probability of side-effects, before their occurrence, is fundamental to reduce this impact, in particular on drug…

Recent studies suggest that drug-drug interaction (DDI) prediction via computational approaches has significant importance for understanding the functions and co-prescriptions of multiple drugs. However, the existing silico DDI prediction…

分子网络 · 定量生物学 2024-08-29 Changjian Zhou , Xin Zhang , Jiafeng Li , Jia Song , Wensheng Xiang

The polypharmacy side effect prediction problem considers cases in which two drugs taken individually do not result in a particular side effect; however, when the two drugs are taken in combination, the side effect manifests. In this work,…

数据库 · 计算机科学 2018-10-23 Brandon Malone , Alberto García-Durán , Mathias Niepert

Drug combination therapy is a well-established strategy for disease treatment with better effectiveness and less safety degradation. However, identifying novel drug combinations through wet-lab experiments is resource intensive due to the…

机器学习 · 计算机科学 2023-01-18 Zhihang Hu , Qinze Yu , Yucheng Guo , Taifeng Wang , Irwin King , Xin Gao , Le Song , Yu Li

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…

机器学习 · 计算机科学 2022-09-01 Haifan zhou , Wenjing Zhou , Junfeng Wu
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