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Modelling drug coatings: A parallel cellular automata model of ethylcellulose-coated microspheres

Bezbradica, Marija orcid logoORCID: 0000-0001-9366-5113, Ruskin, Heather J. orcid logoORCID: 0000-0001-7101-2242 and Crane, Martin orcid logoORCID: 0000-0001-7598-3126 (2011) Modelling drug coatings: A parallel cellular automata model of ethylcellulose-coated microspheres. In: Proceedings of The International Conference on Bioscience, Biochemistry and Bioinformatics (ICBBB 2011). IACSIT Press, Singapore, pp. 419-424. ISBN 978-981-08-8718-6

Pharmaceutical companies today face a growing demand for more complex drug designs. In the past few decades, a number of probabilistic models have been developed, with the aim of improving insight on microscopic features of these complex designs. Of particular interest are models of controlled release systems, which can provide tools to study targeted dose delivery. Controlled release is achieved by using polymers with different dissolution characteristics. We present here an approach for parallelising a large-scale model of a drug delivery system based on Monte Carlo methods, as a framework for Cellular Automata mobility. The model simulates drug release in the gastro-intestinal tract, from coated ethylcellulose microspheres. The objective is high performance simulation of coated drugs for targeted delivery. The overall aim is to understand the importance of various molecular effects with respect to system evolution over time. Important underlying mechanisms of the process, such as erosion and diffusion, are described.
Item Type:Book Section
Uncontrolled Keywords:Drug dissolution; Probabilistic methods; Discrete simulation; Computational modelling; Parallelisation; Pharmacokinetics
Subjects:Biological Sciences > Bioinformatics
Mathematics > Mathematical models
Mathematics > Numerical analysis
Physical Sciences > Statistical physics
Computer Science > Computer simulation
DCU Faculties and Centres:Research Institutes and Centres > Scientific Computing and Complex Systems Modelling (Sci-Sym)
DCU Faculties and Schools > Faculty of Engineering and Computing > School of Computing
Publisher:IACSIT Press
Official URL:http://www.ipcbee.net/vol5/94-X20041.pdf
Copyright Information:© 2011 IACSIT
Use License:This item is licensed under a Creative Commons Attribution-NonCommercial-Share Alike 3.0 License. View License
ID Code:17801
Deposited On:27 Feb 2013 14:00 by Martin Crane . Last Modified 03 Oct 2018 11:38

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