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International Conference on Parallel Processing and Applied Mathematics

PPAM 2013: Parallel Processing and Applied Mathematics pp 699–710Cite as

Probabilistic Pharmaceutical Modelling: A Comparison Between Synchronous and Asynchronous Cellular Automata

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Part of the book series: Lecture Notes in Computer Science ((LNTCS,volume 8385))

Abstract

The field of pharmaceutical modelling has, in recent years, benefited from using probabilistic methods based on cellular automata, which seek to overcome some of the limitations of differential equation based models. By modelling discrete structural element interactions instead, these are able to provide data quality adequate for the early design phases in drug modelling. In relevant literature, both synchronous (CA) and asynchronous (ACA) types of automata have been used, without analysing their comparative impact on the model outputs. In this paper, we compare several variations of probabilistic CA and ACA update algorithms for building models of complex systems used in controlled drug delivery, analysing the advantages and disadvantages related to different modelling scenarios. Choosing the appropriate update mechanism, besides having an impact on the perceived realism of the simulation, also has practical benefits on the applicability of different model parallelisation algorithms and their performance when used in large-scale simulation contexts.

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Acknowledgments

Financial support from the ERA-Net Complexity Project, P07217, is warmly acknowledged. The parallel simulations discussed in this paper were performed on computational resources provided by Sci-Sym, DCU, and by the Irish Centre for High-End Computing.

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Authors and Affiliations

  1. School of Computing, Centre for Scientific Research and Complex Systems Modelling (Sci-Sym), Dublin City University, Dublin, Ireland

    Marija Bezbradica, Heather J. Ruskin & Martin Crane

Authors
  1. Marija Bezbradica
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  2. Heather J. Ruskin
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  3. Martin Crane
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Corresponding author

Correspondence to Marija Bezbradica .

Editor information

Editors and Affiliations

  1. Institute of Computer and Information Science, Czestochowa University of Technology, Czestochowa, Poland

    Roman Wyrzykowski

  2. University of Tennessee, Department of Computer Science, Knoxville, Tennessee, USA

    Jack Dongarra

  3. Institute of Computer and Information Science, Czestochowa University of Technology, Czestochowa, Poland

    Konrad Karczewski

  4. Technical University of Denmark Informatics and Mathematical Modelling, Kongens Lyngby, Denmark

    Jerzy Waśniewski

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Bezbradica, M., Ruskin, H.J., Crane, M. (2014). Probabilistic Pharmaceutical Modelling: A Comparison Between Synchronous and Asynchronous Cellular Automata. In: Wyrzykowski, R., Dongarra, J., Karczewski, K., Waśniewski, J. (eds) Parallel Processing and Applied Mathematics. PPAM 2013. Lecture Notes in Computer Science(), vol 8385. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-55195-6_66

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  • DOI: https://doi.org/10.1007/978-3-642-55195-6_66

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  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-642-55194-9

  • Online ISBN: 978-3-642-55195-6

  • eBook Packages: Computer ScienceComputer Science (R0)

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