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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.…

Machine Learning · Computer Science 2018-08-15 Marinka Zitnik , Monica Agrawal , Jure Leskovec

The drug discovery and development process is a long and expensive one, costing over 1 billion USD on average per drug and taking 10-15 years. To reduce the high levels of attrition throughout the process, there has been a growing interest…

Quantitative Methods · Quantitative Biology 2022-08-22 Cheng Ye , Rowan Swiers , Stephen Bonner , Ian Barrett

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,…

Databases · Computer Science 2018-10-23 Brandon Malone , Alberto García-Durán , Mathias Niepert

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: Combination therapies have been widely used to treat cancers. However, it is cost- and time-consuming to experimentally screen synergistic drug pairs due to the enormous number of possible drug combinations. Thus, computational…

Quantitative Methods · Quantitative Biology 2020-09-17 Zexuan Sun , Shujun Huang , Peiran Jiang , Pingzhao Hu

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

The use of drug combinations often leads to polypharmacy side effects (POSE). A recent method formulates POSE prediction as a link prediction problem on a graph of drugs and proteins, and solves it with Graph Convolutional Networks (GCNs).…

Machine Learning · Computer Science 2020-01-29 Hao Xu , Shengqi Sang , Haiping Lu

The approval success rate of drug candidates is very low with the majority of failure due to safety and efficacy. Increasingly available high dimensional information on targets, drug molecules and indications provides an opportunity for ML…

Machine Learning · Computer Science 2022-07-27 Onuralp Soylemez

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

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

Co-administration of two or more drugs simultaneously can result in adverse drug reactions. Identifying drug-drug interactions (DDIs) is necessary, especially for drug development and for repurposing old drugs. DDI prediction can be viewed…

Quantitative Methods · Quantitative Biology 2022-10-21 Stuti Jain , Emilie Chouzenoux , Kriti Kumar , Angshul Majumdar

This paper studies the prediction task of tensor-on-tensor regression in which both covariates and responses are multi-dimensional arrays (a.k.a., tensors) across time with arbitrary tensor order and data dimension. Existing methods either…

Machine Learning · Statistics 2024-12-23 Guanhao Zhou , Yuefeng Han , Xiufan Yu

Drug synergy, characterized by the amplified combined effect of multiple drugs, is critically important for optimizing therapeutic outcomes. Limited data on drug synergy, arising from the vast number of possible drug combinations and…

Machine Learning · Computer Science 2023-11-08 Oleksii Tsepa , Bohdan Naida , Anna Goldenberg , Bo Wang

Background: The increasing adoption of electronic health records (EHR) across the US has created troves of computable data, to which machine learning methods have been applied to extract useful insights. EHR data, represented as a…

Machine Learning · Computer Science 2021-12-28 Francisco Y Cai , Chengsheng Mao , Yuan Luo

For most problems in science and engineering we can obtain data sets that describe the observed system from various perspectives and record the behavior of its individual components. Heterogeneous data sets can be collectively mined by data…

Machine Learning · Computer Science 2015-02-09 Marinka Žitnik , Blaž Zupan

Drugs are frequently prescribed to patients with the aim of improving each patient's medical state, but an unfortunate consequence of most prescription drugs is the occurrence of undesirable side effects. Side effects that occur in more…

Machine Learning · Computer Science 2016-11-15 Jenna Reps , Jonathan M. Garibaldi , Uwe Aickelin , Daniele Soria , Jack E. Gibson , Richard B. Hubbard

Available super-resolution techniques for 3D images are either computationally inefficient prior-knowledge-based iterative techniques or deep learning methods which require a large database of known low- and high-resolution image pairs. A…

Computer Vision and Pattern Recognition · Computer Science 2024-10-30 Janka Hatvani , Adrian Basarab , Jean-Yves Tourneret , Miklós Gyöngy , Denis Kouamé

Tensor factorization is a powerful tool to analyse multi-way data. Compared with traditional multi-linear methods, nonlinear tensor factorization models are capable of capturing more complex relationships in the data. However, they are…

Machine Learning · Computer Science 2016-05-24 Shandian Zhe , Kai Zhang , Pengyuan Wang , Kuang-chih Lee , Zenglin Xu , Yuan Qi , Zoubin Ghahramani

Tensor factorization has received increasing interest due to its intrinsic ability to capture latent factors in multi-dimensional data with many applications such as recommender systems and Electronic Health Records (EHR) mining. PARAFAC2…

Machine Learning · Computer Science 2022-08-10 Yifei Ren , Jian Lou , Li Xiong , Joyce C Ho , Xiaoqian Jiang , Sivasubramanium Bhavani

Tensor decomposition has been widely used in machine learning and high-volume data analysis. However, large-scale tensor factorization often consumes huge memory and computing cost. Meanwhile, modernized computing hardware such as tensor…

Optimization and Control · Mathematics 2022-09-12 Zi Yang , Junnan Shan , Zheng Zhang
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