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
✦ LIBER ✦
Computer enumeration of substituted polyhexes
✍ Scribed by J.V. Knop; K. Szymanski; L. Klasinc; N. Trinajstić
- Book ID
- 103504400
- Publisher
- Elsevier Science
- Year
- 1984
- Tongue
- English
- Weight
- 686 KB
- Volume
- 8
- Category
- Article
- ISSN
- 0097-8485
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## Abstract A novel efficient computer‐oriented approach, based on the DAST (dualist angle‐restricted spanning tree) code, is introduced for enumeration and generation of planar polyhex hydrocarbons. It is much faster than other approaches in the literature. The numbers of planar polyhex hydrocarbo