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Related papers: Drug Interaction Vectors Neural Network: DrIVeNN

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In silico drug-target interaction (DTI) prediction is an important and challenging problem in biomedical research with a huge potential benefit to the pharmaceutical industry and patients. Most existing methods for DTI prediction including…

Machine Learning · Computer Science 2019-08-22 Qingyuan Feng , Evgenia Dueva , Artem Cherkasov , Martin Ester

Adverse drug reaction (ADR) is widely concerned for public health issue. ADRs are one of most common causes to withdraw some drugs from market. Prescription event monitoring (PEM) is an important approach to detect the adverse drug…

Computational Engineering, Finance, and Science · Computer Science 2013-07-08 Yihui Liu , Uwe Aickelin

When patients need to take medicine, particularly taking more than one kind of drug simultaneously, they should be alarmed that there possibly exists drug-drug interaction. Interaction between drugs may have a negative impact on patients or…

Computation and Language · Computer Science 2020-08-31 Siliang Tang , Qi Zhang , Tianpeng Zheng , Mengdi Zhou , Zhan Chen , Lixing Shen , Xiang Ren , Yueting Zhuang , Shiliang Pu , Fei Wu

The occurrence of drug-drug-interactions (DDI) from multiple drug dispensations is a serious problem, both for individuals and health-care systems, since patients with complications due to DDI are likely to reenter the system at a costlier…

Social and Information Networks · Computer Science 2020-01-03 Rion Brattig Correia , Luciana P. de Araújo , Mauro M. Mattos , Luis M. Rocha

Drug-drug interactions are preventable causes of medical injuries and often result in doctor and emergency room visits. Computational techniques can be used to predict potential drug-drug interactions. We approach the drug-drug interaction…

Machine Learning · Computer Science 2019-08-06 Guy Shtar , Lior Rokach , Bracha Shapira

Concomitant administration of drugs can cause drug-drug interactions (DDIs). Some drug combinations are beneficial, but other ones may cause negative effects which are previously unrecorded. Previous works on DDI prediction usually rely on…

Artificial Intelligence · Computer Science 2022-08-26 Xinyu Zhu , Yongliang Shen , Weiming Lu

Adverse drug events (ADE) are prevalent and costly. Clinical trials are constrained in their ability to identify potential ADEs, motivating the development of spontaneous reporting systems for post-market surveillance. Statistical methods…

Computation and Language · Computer Science 2020-08-11 Xiruo Ding , Trevor Cohen

In Oncology, trials evaluating drug combinations are becoming more common. While combination therapies bring the potential for greater efficacy, they also create unique challenges for ensuring drug safety. In Phase-I dose escalation trials…

Applications · Statistics 2023-02-23 Lukas A. Widmer , Andrew Bean , David Ohlssen , Sebastian Weber

Motivation: Drug combination is a sensible strategy for disease treatment by improving the efficacy and reducing concomitant side effects. Due to the large number of possible combinations among candidate compounds, exhaustive screening is…

Quantitative Methods · Quantitative Biology 2020-02-26 Liang Yu , Mingfei Xia , Lin Gao

Drug repurposing is an effective strategy to identify new uses for existing drugs, providing the quickest possible transition from bench to bedside. Existing methods for drug repurposing that mainly focus on pre-clinical information may…

Applications · Statistics 2021-04-14 Ruoqi Liu , Lai Wei , Ping Zhang

Drug-target interaction is fundamental in understanding how drugs affect biological systems, and accurately predicting drug-target affinity (DTA) is vital for drug discovery. Recently, deep learning methods have emerged as a significant…

Machine Learning · Computer Science 2024-12-30 Minghui Li , Zikang Guo , Yang Wu , Peijin Guo , Yao Shi , Shengshan Hu , Wei Wan , Shengqing Hu

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…

Machine Learning · Statistics 2022-12-01 Pietro Bongini , Elisa Messori , Niccolò Pancino , Monica Bianchini

Predicting drug-target interaction is key for drug discovery. Recent deep learning-based methods show promising performance but two challenges remain: (i) how to explicitly model and learn local interactions between drugs and targets for…

Machine Learning · Computer Science 2023-01-23 Peizhen Bai , Filip Miljković , Bino John , Haiping Lu

Accurate prediction of cardiovascular disease (CVD) risk is crucial for healthcare institutions. This study addresses the growing prevalence of diabetes and its strong link to heart disease by proposing an efficient CVD risk prediction…

Machine Learning · Computer Science 2025-11-10 Esha Chowdhury

Understanding the interaction between different drugs (drug-drug interaction or DDI) is critical for ensuring patient safety and optimizing therapeutic outcomes. Existing DDI datasets primarily focus on textual information, overlooking…

Machine Learning · Computer Science 2025-06-03 Tung-Lam Ngo , Ba-Hoang Tran , Duy-Cat Can , Trung-Hieu Do , Oliver Y. Chén , Hoang-Quynh Le

Gaining more comprehensive knowledge about drug-drug interactions (DDIs) is one of the most important tasks in drug development and medical practice. Recently graph neural networks have achieved great success in this task by modeling drugs…

Machine Learning · Computer Science 2019-10-09 Tengfei Ma , Junyuan Shang , Cao Xiao , Jimeng Sun

Background: Identifying new indications for approved drugs is a complex and time-consuming process that requires extensive knowledge of pharmacology, clinical data, and advanced computational methods. Recently, deep learning (DL) methods…

Machine Learning · Computer Science 2025-11-13 Shuting Jin , Yi Jiang , Yimin Liu , Tengfei Ma , Dongsheng Cao , Leyi Wei , Xiangrong Liu , Xiangxiang Zeng

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…

Quantitative Methods · Quantitative Biology 2020-12-25 Kyriakos Schwarz , Ahmed Allam , Nicolas Andres Perez Gonzalez , Michael Krauthammer

Polypharmacy, most often defined as the simultaneous consumption of five or more drugs at once, is a prevalent phenomenon in the older population. Some of these polypharmacies, deemed inappropriate, may be associated with adverse health…

Machine Learning · Computer Science 2023-04-06 Alexandre Larouche , Audrey Durand , Richard Khoury , Caroline Sirois

Patients with Acute Kidney Injury (AKI) increase mortality, morbidity, and long-term adverse events. Therefore, early identification of AKI may improve renal function recovery, decrease comorbidities, and further improve patients' survival.…

Applications · Statistics 2020-07-08 Bowen Kuo , Yihuang Kang , Pinghsung Wu , Sheng-Tai Huang , Yajie Huang