Pregled bibliografske jedinice broj: 452949
On the Degeneracy of Molecular Identification Number MID06
On the Degeneracy of Molecular Identification Number MID06 // Internet electronic journal of molecular design, 2008 (2008), 10; 216-224 (međunarodna recenzija, članak, znanstveni)
CROSBI ID: 452949 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
On the Degeneracy of Molecular Identification Number MID06
Autori
Vukičević, Damir ; Vojković, Tanja
Izvornik
Internet electronic journal of molecular design (1538-6414) 2008
(2008), 10;
216-224
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
degeneracy; molecular identification number
Sažetak
The topological index MID06 (Molecular Identification Number 06) has been proposed by Chang-Yu Hu and Lu Xu in their paper “Developing Molecular Identification Numbers by an All-Paths Method”. It has been tested successfully on a large number of alkane isomers and molecules containing heteroatoms. Here we analyze the degeneracy of MID06 for alkanes, and we demonstrate that there are many more alkanes then possible MID06 identifiers. Although MID06 has very good discriminative properties, it has degenerate values for certain alkane pairs.
Izvorni jezik
Engleski
Znanstvena područja
Matematika, Kemija
POVEZANOST RADA
Projekti:
037-0000000-2779 - Diskretna matematika i primjene (Svrtan, Dragutin, MZOS ) ( CroRIS)
177-0000000-0884 - Diskretni matematički modeli u kemiji (Vukičević, Damir, MZOS ) ( CroRIS)
Ustanove:
Prirodoslovno-matematički fakultet, Split
