Bezbradica, Marija ORCID: 0000-0001-9366-5113, Ruskin, Heather J. ORCID: 0000-0001-7101-2242 and Crane, Martin ORCID: 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.
Abstract
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.
Metadata
Item Type: | Conference or Workshop Item (Paper) |
---|---|
Event Type: | Conference |
Refereed: | Yes |
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 Initiatives 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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