EXTENDED WIENER INDEXES - A NEW SET OF DESCRIPTORS FOR QUANTITATIVE STRUCTURE-PROPERTY STUDIES

Higher order analogues of the Wiener number are defined, providing rat her precise regression models for a number of physico-chemical propert ies of alkanes, which certainly are much better than the analogous mod els based solely on the Wiener number. The new structure descriptors a re defined on the basis of the Wiener-Hosoya polynomial H-G(x): the kt h extended Wiener index W-k is equal to the kth derivative of H-G(x), evaluated at x = 1, in which case W-1 is just the original Wiener numb er.