Prediction of gas chromatographic retention indices using variable connectivity index

Citation
M. Randic et al., Prediction of gas chromatographic retention indices using variable connectivity index, ACTA CHIM S, 48(2), 2001, pp. 169-180
Citations number
16
Categorie Soggetti
Chemistry
Journal title
ACTA CHIMICA SLOVENICA
ISSN journal
13180207 → ACNP
Volume
48
Issue
2
Year of publication
2001
Pages
169 - 180
Database
ISI
SICI code
1318-0207(2001)48:2<169:POGCRI>2.0.ZU;2-W
Abstract
We have re-examined gas chromatographic retention indices of alkanes (48 co mpounds), and alcohols (31 compounds), combining all molecules into a singl e set (n=79) using variable connectivity index (1)chi (f). By varying the w eight for oxygen atom we obtained the regression characterized by the corre lation coefficient r = 0.9933, the standard error s=14.24 retention time un its, and Fisher ratio F = 5695. Use of the simple connectivity index (1)chi , which does not differentiate carbon and oxygen atoms, gives regression wi th the standard error four times larger.