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GrInvIn in a nutshell

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Abstract

GrInvIn (Graph Invariant Investigator) is a software framework for teaching graph theory and for research in graph theory and graph theoretic chemistry. It enables users to construct graphs, compute invariants (e.g. topological indices in chemistry) and investigate relations between these concepts. The design of GrInvIn emphasizes easy usage and makes use of software engineering techniques that enable the user to easily extend the system (e.g. by adding new topological indices to investigate).

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Authors and Affiliations

  1. Applied Mathematics and Computer Science, Ghent University, Krijgslaan 281 S9, 9000, Ghent, Belgium

    Adriaan Peeters, Kris Coolsaet, Gunnar Brinkmann, Nicolas Van Cleemput & Veerle Fack

Authors
  1. Adriaan Peeters
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  2. Kris Coolsaet
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  3. Gunnar Brinkmann
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  4. Nicolas Van Cleemput
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  5. Veerle Fack
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Correspondence to Gunnar Brinkmann.

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Peeters, A., Coolsaet, K., Brinkmann, G. et al. GrInvIn in a nutshell. J Math Chem 45, 471–477 (2009). https://doi.org/10.1007/s10910-008-9420-5

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  • DOI: https://doi.org/10.1007/s10910-008-9420-5

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