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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

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

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

The appearance of a new dangerous and contagious disease requires the development of a drug therapy faster than what is foreseen by usual mechanisms. Many drug therapy developments consist in investigating through different clinical trials…

Quantitative Methods · Quantitative Biology 2020-03-31 Ezequiel Alvarez , Federico Lamagna , Manuel Szewc

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)…

Machine Learning · Computer Science 2025-06-12 Natalie Wang , Casey Overby Taylor

There is currently a dearth of appropriate methods to estimate the causal effects of multiple treatments when the outcome is binary. For such settings, we propose the use of nonparametric Bayesian modeling, Bayesian Additive Regression…

Methodology · Statistics 2020-03-02 Chenyang Gu , Michael J. Lopez , Liangyuan Hu

Despite improved rational drug design and a remarkable progress in genomic, proteomic and high-throughput screening methods, the number of novel, single-target drugs fell much behind expectations during the past decade. Multi-target drugs…

Molecular Networks · Quantitative Biology 2007-05-23 Tamas Korcsmaros , Mate S. Szalay , Csaba Bode , Istvan A. Kovacs , Peter Csermely

Multivalued treatment models have typically been studied under restrictive assumptions: ordered choice, and more recently unordered monotonicity. We show how treatment effects can be identified in a more general class of models that allows…

Econometrics · Economics 2018-05-02 Sokbae Lee , Bernard Salanié

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…

Information Retrieval · Computer Science 2018-03-09 Wen-Hao Chiang , Li Shen , Lang Li , Xia Ning

Drug overdose has become a public health crisis in the United States with devastating consequences. However, most of the drug overdose incidences are the consequence of recitative polysubstance usage over a defined period of time which can…

Artificial Intelligence · Computer Science 2022-04-13 Vaishali Mahipal , Mohammad Arif Ul Alam

Individualized treatment decisions can improve health outcomes, but using data to make these decisions in a reliable, precise, and generalizable way is challenging with a single dataset. Leveraging multiple randomized controlled trials…

A pharmacological effect of a drug on cells, organs and systems refers to the specific biochemical interaction produced by a drug substance, which is called its mechanism of action. Drug repositioning (or drug repurposing) is a fundamental…

Machine Learning · Computer Science 2020-05-19 Dehua Chen , Amir Jalilifard , Adriano Veloso , Nivio Ziviani

An important task in drug development is to identify patients, which respond better or worse to an experimental treatment. Identifying predictive covariates, which influence the treatment effect and can be used to define subgroups of…

Methodology · Statistics 2018-11-27 Marius Thomas , Björn Bornkamp , Katja Ickstadt

One of the promising methods for the treatment of complex diseases such as cancer is combinational therapy. Due to the combinatorial complexity, machine learning models can be useful in this field, where significant improvements have…

Machine Learning · Computer Science 2020-01-08 Işıksu Ekşioğlu , Mehmet Tan

Assessing causal effects in the presence of unobserved confounding is a challenging problem. Existing studies leveraged proxy variables or multiple treatments to adjust for the confounding bias. In particular, the latter approach attributes…

Methodology · Statistics 2023-10-17 Yong Wu , Mingzhou Liu , Jing Yan , Yanwei Fu , Shouyan Wang , Yizhou Wang , Xinwei Sun

Network meta-analysis is a powerful tool to synthesize evidence from independent studies and compare multiple treatments simultaneously. A critical task of performing a network meta-analysis is to offer ranks of all available treatment…

Methodology · Statistics 2022-07-15 Andrés F. Barrientos , Garritt L. Page , Lifeng Lin

Despite considerable progress in genome- and proteome-based high-throughput screening methods and rational drug design, the number of successful single target drugs did not increase appreciably during the past decade. Network models suggest…

Molecular Networks · Quantitative Biology 2007-05-23 Peter Csermely , Vilmos Agoston , Sandor Pongor

Recently, a number of drug-therapy, disease, drug, and drug-target networks have been introduced. Here we suggest novel methods for network-based prediction of novel drug targets and for improvement of drug efficiency by analysing the…

Molecular Networks · Quantitative Biology 2008-07-31 Zoltan Spiro , Istvan A. Kovacs , Peter Csermely

Although combination antiretroviral therapy (ART) is highly effective in suppressing viral load for people with HIV (PWH), many ART agents may exacerbate central nervous system (CNS)-related adverse effects including depression. Therefore,…

Methodology · Statistics 2020-04-14 Wei Jin , Yang Ni , Leah H. Rubin , Amanda B. Spence , Yanxun Xu

In recent decades, there has been an increase in polypharmacy, the concurrent administration of multiple drugs per patient. Studies have shown that polypharmacy is linked to adverse patient outcomes and there is interest in elucidating the…

Quantitative Methods · Quantitative Biology 2022-07-20 Kyriakos Schwarz , Daniel Trejo Banos , Giulia Rathmes , Michael Krauthammer
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