Abstract
A canonical numbering of molecular graphs based on the maximum code assigned to the lower-triangle part of the adjacency matrix is used for a recurrent constructive enumeration of molecular graphs. The underlying theoretical concept - the so-called semicanonical numbering - is much more restrictive than the originally used concept of cooperative numbering. The method does not involve very time-consuming isomorphism checks of currently constructed graphs against those already constructed.
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Kvasnička, V., Pospíchal, J. An improved method of constructive enumeration of graphs. J Math Chem 9, 181–196 (1992). https://doi.org/10.1007/BF01164843
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DOI: https://doi.org/10.1007/BF01164843