Naslov
Computing the variable vertex-connectivity index

Autori
Kezele, Nenad ; Klasinc, Leo ; von Knop, Jan ; Ivaniš, Sanja ; Nikolić, Sonja

Izvornik
Croatica Chemica Acta (0011-1643) 75 (2002), 2; 651-661

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

Ključne riječi
aliphatic amines; connectivity index; vertex-connectivity index; variable vertex-cinnectivity index; QSPR

Sažetak
A computer program has been designed for efficacious computation of the variable connectivity index. It has been tested on Randic's and Basak's work(20) on aliphatic primary amines. We have reproduced their results for the fit model. We have also cross-validated (CV) this model. Both the fit and the CV models possess close (comparable) statistical parameters. It appears that the use of the variable connectivity index in QSPR yields very good regression equations in the case of homogeneous sets of molecules.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

POVEZANOST RADA