I. Gutman et E. Estrada, About the use of different molecular representations to predict physical-chemical properties of organic compounds., AFINIDAD, 56(482), 1999, pp. 253-256
The structure of an alkane can not only be represented by the standard mole
cular graph, but also through a diversity of other molecular graphs. We sho
w that Wiener indexes, determined for any of these molecular graphs, which
represent the same molecule, are linear related. Therefore, in relation wit
h the application of this index for the prediction of physical-chemical pro
perties of the alkanes, the results will be the same, independently of the
use of any of these molecular representantions.