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Identification and verification of molecular properties such as side effects is one of the most important and time-consuming steps in the process of molecule synthesis. For example, failure to identify side effects before submission to…

Quantitative Methods · Quantitative Biology 2024-04-12 Collin Beaudoin , Koustubh Phalak , Swaroop Ghosh

Background: Children are frequently prescribed medication off-label, meaning there has not been sufficient testing of the medication to determine its safety or effectiveness. The main reason this safety knowledge is lacking is due to…

Machine Learning · Computer Science 2014-09-03 Jenna M. Reps , Jonathan M. Garibaldi , Uwe Aickelin , Daniele Soria , Jack E. Gibson , Richard B. Hubbard

Side effects of prescribed medications are a common occurrence. Electronic healthcare databases present the opportunity to identify new side effects efficiently but currently the methods are limited due to confounding (i.e. when an…

Databases · Computer Science 2016-11-17 Jenna M. Reps , Uwe Aickelin , Jiangang Ma , Yanchun Zhang

Dynamic treatment recommendation systems based on large-scale electronic health records (EHRs) become a key to successfully improve practical clinical outcomes. Prior relevant studies recommend treatments either use supervised learning…

Machine Learning · Computer Science 2018-09-18 Lu Wang , Wei Zhang , Xiaofeng He , Hongyuan Zha

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

Complex or co-existing diseases are commonly treated using drug combinations, which can lead to higher risk of adverse side effects. The detection of polypharmacy side effects is usually done in Phase IV clinical trials, but there are still…

Machine Learning · Statistics 2019-05-03 Andreea Deac , Yu-Hsiang Huang , Petar Veličković , Pietro Liò , Jian Tang

Motivation: Adverse reactions from drug combinations are increasingly common, making their accurate prediction a crucial challenge in modern medicine. Laboratory-based identification of these reactions is insufficient due to the…

Machine Learning · Computer Science 2024-12-10 Oliver Lloyd , Yi Liu , Tom R. Gaunt

The computational drug repositioning aims to discover new uses for marketed drugs, which can accelerate the drug development process and play an important role in the existing drug discovery system. However, the number of validated…

Machine Learning · Computer Science 2022-06-02 Xinxing Yang , Genke Yang , Jian Chu

In previous work, a novel supervised framework implementing a binary classifier was presented that obtained excellent results for side effect discovery. Interestingly, unique side effects were identified when different binary classifiers…

Machine Learning · Computer Science 2014-09-04 Jenna M. Reps , Uwe Aickelin , Jonathan M. Garibaldi

In recent decades, traditional drug research and development have been facing challenges such as high cost, long timelines, and high risks. To address these issues, many computational approaches have been suggested for predicting the…

Quantitative Methods · Quantitative Biology 2023-09-13 Chunyan Ao , Zhichao Xiao , Lixin Guan , Liang Yu

Adverse drug interactions are a critical concern in pharmacovigilance, as both clinical trials and spontaneous reporting systems often lack the breadth to detect complex drug interactions. This study introduces a computational framework for…

Applications · Statistics 2025-04-02 Jules Bangard , Einar Holsbø , Kristian Svendsen , Vittorio Perduca , Etienne Birmelé

Adverse drug reactions (ADRs) are big concern for public health. ADRs are one of most common causes to withdraw some drugs from markets. Now two major methods for detecting ADRs are spontaneous reporting system (SRS), and prescription event…

Computational Engineering, Finance, and Science · Computer Science 2013-09-02 Yihui Liu , Uwe Aickelin

Big longitudinal observational medical data potentially hold a wealth of information and have been recognised as potential sources for gaining new drug safety knowledge. Unfortunately there are many complexities and underlying issues when…

Artificial Intelligence · Computer Science 2016-07-22 Jenna Marie Reps , Jonathan M. Garibaldi , Uwe Aickelin , Jack E. Gibson , Richard B. Hubbard

Development of new medications is a very lengthy and costly process. Finding novel indications for existing drugs, or drug repositioning, can serve as a useful strategy to shorten the development cycle. In this study, we present an approach…

Genomics · Quantitative Biology 2017-12-13 Kai Zhao , Hon-Cheong So

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…

Machine Learning · Computer Science 2014-09-03 Yihui Liu , Uwe Aickelin

Personalized head and neck cancer therapeutics have greatly improved survival rates for patients, but are often leading to understudied long-lasting symptoms which affect quality of life. Sequential rule mining (SRM) is a promising…

Human-Computer Interaction · Computer Science 2023-09-28 Carla Floricel , Andrew Wentzel , Abdallah Mohamed , C. David Fuller , Guadalupe Canahuate , G. Elisabeta Marai

Predicting the novel effects of drugs based on information about approved drugs can be regarded as a recommendation system. Matrix factorization is one of the most used recommendation systems and various algorithms have been devised for it.…

Quantitative Methods · Quantitative Biology 2023-01-16 Iori Azuma , Tadahaya Mizuno , Hiroyuki Kusuhara

Inferring causality using longitudinal observational databases is challenging due to the passive way the data are collected. The majority of associations found within longitudinal observational data are often non-causal and occur due to…

Computational Engineering, Finance, and Science · Computer Science 2016-11-17 Jenna Reps , Uwe Aickelin

Big longitudinal observational databases present the opportunity to extract new knowledge in a cost effective manner. Unfortunately, the ability of these databases to be used for causal inference is limited due to the passive way in which…

Artificial Intelligence · Computer Science 2016-07-21 Jenna Reps , Zhaoyang Guo , Haoyue Zhu , Uwe Aickelin

Healthcare fraud detection remains a critical challenge due to limited availability of labeled data, constantly evolving fraud tactics, and the high dimensionality of medical records. Traditional supervised methods are challenged by extreme…

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