Algoritmus izomerek képleteinek eloállítására

Translated title of the contribution: An algorithm to generate formulas of isomers

Research output: Contribution to journalArticle

Abstract

Chemical formulas are essentially graphs consisting of vertices and edges. The graphs are unambiguously defined, by their adjacency matrix. The structure of the adjacency matrix can be simplified if the numbering of the vertices follows certain rules. In this case the generation of formulas of isomers can also be simplified, since many possible structures can be excluded from the generation process. The remaining redundant structures can be excluded by application of syntactic and semantic rules.

Translated title of the contributionAn algorithm to generate formulas of isomers
Original languageHungarian
Pages (from-to)90-96
Number of pages7
JournalMagyar Kemiai Folyoirat, Kemiai Kozlemenyek
Volume107
Issue number2
Publication statusPublished - Feb 1 2001

ASJC Scopus subject areas

  • Chemistry(all)

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