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Explicit Collision Simulation of Chemical Reactions in a Graph Based Artificial Chemistry

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Advances in Artificial Life (ECAL 2005)

Part of the book series: Lecture Notes in Computer Science ((LNAI,volume 3630))

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Abstract

A Toy Model of an artificial chemistry that treats molecules as graphs was implemented based on a simple Extended Hückel Theory method. Here we describe an extension of the model that models chemical reactions as the result of “collisions”. In order to avoid a possible bias arising from prescribed generic reaction mechanisms, the reactions are simulated in a way that treats the formation and breakage of individual chemical bonds as elementary operations.

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Author information

Authors and Affiliations

  1. Graduiertenkolleg Wissensrepräsentation,  

    Gil Benkö

  2. Lehrstuhl für Bioinformatik, Institut für Informatik, Universität Leipzig, Haertelstraße 16-18, D-04107, Leipzig, Germany

    Gil Benkö & Peter F. Stadler

  3. Institut für Theoretische Chemie, Universität Wien, Währingerstraße 17, A-1090, Wien, Austria

    Christoph Flamm & Peter F. Stadler

Authors
  1. Gil Benkö
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  2. Christoph Flamm
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  3. Peter F. Stadler
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Editor information

Editors and Affiliations

  1. Natural Computation Group, University of Kent, CT2 7NF, Canterbury, UK

    Mathieu S. Capcarrère

  2. Computing Laboratory and Centre for BioMedical Informatics, University of Kent, CT2 7NF, Canterbury, UK

    Alex A. Freitas

  3. Computer Science Department, University College London, London, UK

    Peter J. Bentley

  4. Computing Laboratory, University of Kent, Canterbury, UK

    Colin G. Johnson

  5. Department of Electronics, University of York, YO10 5DD, Heslington, York, UK

    Jon Timmis

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© 2005 Springer-Verlag Berlin Heidelberg

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Benkö, G., Flamm, C., Stadler, P.F. (2005). Explicit Collision Simulation of Chemical Reactions in a Graph Based Artificial Chemistry. In: Capcarrère, M.S., Freitas, A.A., Bentley, P.J., Johnson, C.G., Timmis, J. (eds) Advances in Artificial Life. ECAL 2005. Lecture Notes in Computer Science(), vol 3630. Springer, Berlin, Heidelberg. https://doi.org/10.1007/11553090_73

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  • DOI: https://doi.org/10.1007/11553090_73

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-28848-0

  • Online ISBN: 978-3-540-31816-3

  • eBook Packages: Computer ScienceComputer Science (R0)

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