Naslov
Compact Codes - on Nomenclature of Acyclic Chemical- Compounds

Autori
Randić, Milan ; Nikolić, Sonja ; Trinajstić, Nenad

Izvornik
Journal of chemical information and computer sciences (0095-2338) 35 (1995), 3; 357-365

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
symmetryproperties ; molecular codes ; graphs ; stereochemistry

Sažetak
The aim of this report is to demonstrate that the compact codes recently introduced have the potential to develop into a full new system of chemical coding. Our proposal is based on the N- tuple concept developed by Knop and his co-workers and its transformation into the M-tuple which consists of a string of numbers, each representing either primary, secondary, tertiary, or quaternary carbon atom. The conversion from N-tuple to M- tuple is simple, but the new code allows chemically more meaningful interpretation. The proposed novel scheme was successfully applied to acyclic chemical systems such as alkanes and compounds with heteroatoms and multiple bonds.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

POVEZANOST RADA