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On the Degeneracy of Molecular Identification Number MID06


Vukičević, Damir; Vojković, Tanja
On the Degeneracy of Molecular Identification Number MID06 // Internet electronic journal of molecular design, 2008 (2008), 10; 216-224 (međunarodna recenzija, članak, znanstveni)


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


Projekt / tema
037-0000000-2779 - Diskretna matematika i primjene (Dragutin Svrtan, )
177-0000000-0884 - Diskretni matematički modeli u kemiji (Damir Vukičević, )

Ustanove
Prirodoslovno-matematički fakultet, Split

Časopis indeksira:


  • Scopus