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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: ICBBB 2011 : 2011 International Conference on Bioscience, Biochemistry and Bioinformatics, 26-28 Feb 2011, Sentaosa, Singapore.

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, for the purpose of giving a better insight into the microscopic features of these complex designs. Of particular interest are those models that simulate controlled release systems to provide targeted dose delivery. Controlled release is achieved by using polymers with different dissolution characteristics. We present here a model of a drug delivery system based on Monte Carlo methods, as a framework for Cellular Automata mobility, and show a solution for model enhancement through parallelisation. The objective is the high performance simulation of targeted drug release in the gastrointestinal tract, from a capsule composed of ethylcellulose coated microspheres. 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:Conference or Workshop Item (Paper)
Event Type:Conference
Uncontrolled Keywords:Drug dissolution; Probabilistic methods; Discrete simulation; Computational modelling; OpenMP parallelisation
Subjects:Medical Sciences > Pharmacology
Computer Science > Computational complexity
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
Published in: Proceedings 2011 International Conference on Bioscience, Biochemistry and Bioinformatics. International Proceedings of Chemical, Biological and Environmental Engineering (IPCBEE) 5. IACSIT Press, Singapore.
Publisher:IACSIT Press, Singapore
Official URL:http://www.ipcbee.com/vol5/94-X20041.pdf
Copyright Information:© 2011 IACSIT Press, Singapore
Use License:This item is licensed under a Creative Commons Attribution-NonCommercial-Share Alike 3.0 License. View License
ID Code:21699
Deposited On:02 Feb 2017 12:18 by Thomas Murtagh . Last Modified 03 Oct 2018 11:30

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