Binary coding of Kekule structures of catacondensed benzenoid hydrocarbons

Authors
Klavzar, S Vesel, A Zigert, P Gutman, I
Citation
S. Klavzar et al., Binary coding of Kekule structures of catacondensed benzenoid hydrocarbons, COMPUT CHEM, 25(6), 2001, pp. 569-575
Citations number
25
Categorie Soggetti
Chemistry
Journal title
COMPUTERS & CHEMISTRY
ISSN journal
00978485 → ACNP
Volume
25
Issue
6
Year of publication
2001
Pages
569 - 575
Database
ISI
SICI code
0097-8485(200111)25:6<569:BCOKSO>2.0.ZU;2-M
Abstract
An algorithm is described by means of which the Kekule structures of a cata condensed benzenoid molecule (with It hexagons) are transformed into binary codes (of length h). By this, computer-aided manipulations with, and memor y-storage of Kekule structures are much facilitated. Any Kekule structure c an easily be recovered from its binary code. (C) 2001 Elsevier Science Ltd. All rights reserved.