Naslov
Extension of the Z matrix to cycle-containing and edge-weighted molecular graphs

Autori
Plavšić, Dejan ; Šoškić, Milan ; Đaković, Zorislav ; Gutman, Ivan ; Graovac, Ante

Izvornik
Journal of chemical information and computer sciences (0095-2338) 37 (1997), 3; 529-534

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

Ključne riječi
Hosoya Z matrix; generalization; general connected edge-weighted graph; boiling points of saturated monocyclic hydrocarbons; QSPR modeling

Sažetak
The Hosoya Z matrix is originally defined only for trees. Due to a multitude of possibilities to connect pairs of vertices in a general connected undirected graph, the Z matrix could be generalized in different ways. A possibility to resolve this problem is discussed. For edge-weighted graphs, the Z_ew matrix based on the novel Z^* index is defined. In analogy to path numbers invariants ^kZ, k=1, 2, ...., are introduced, and their correlation with boiling points of saturated hydrocarbons is studied.

Izvorni jezik
Engleski

Znanstvena područja
Kemija, Prehrambena tehnologija

POVEZANOST RADA