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Computer enumeration of polyhexes using the compact naming approach

✍ Scribed by J. Cioslowski

Publisher
John Wiley and Sons
Year
1987
Tongue
English
Weight
651 KB
Volume
8
Category
Article
ISSN
0192-8651

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✦ Synopsis

The enumeration of polyhexes can be easily carried out by utilizing a compact name (CN) approach to code chemical structures. The Fortran program performing generation of benzenoid hydrocarbons with 1-10 rings is presented. The computed structures are divided into various classes according to their cata-or perias well and non-or radicaloid character. Use of the additive nodal increments (ANI) approach leads to algorithm producing representative samples of the polyhexes' sets which can be applicable in testing of various topological formulae.

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