Mixed Integer Programming and Extremal Chemical Graphs

Open Access

Authors: Pierre Hansen , Mustapha Aouchiche , Gilles Caporossi , Alain Hertz , Cherif Sellal

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Abstract: Two systems called AutoGraphiX and ChemoGraphiX are proposed for datamining chemical graphs with extremal values of one or several graphical invariants. AutoGraphiX is based on the variable neighborhood search heuristic and ChemoGraphiX on mixed integer programming.

Keywords: Chemical graphs, Mixed integer programming, Metaheuristic, Graphical invariant

Cite this paper

Pierre Hansen, Mustapha Aouchiche, Gilles Caporossi, Alain Hertz, Cherif Sellal. (2018) Mixed Integer Programming and Extremal Chemical Graphs. International Journal of Chemistry and Chemical Engineering Systems, 3 , 22-30

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Copyright © 2018 Author(s) retain the copyright of this article. This article is published under the terms of the Creative Commons Attribution License 4.0

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