Issue 8, 1998

Extended Wiener indices. A new set of descriptors for quantitative structure-property studies

Abstract

Higher order analogues of the Wiener number are defined, providing rather precise regression models for a number of physico-chemical properties of alkanes, which certainly are much better than the analogous models based solely on the Wiener number. The new structure descriptors are defined on the basis of the Wiener–Hosoya polynomial HG(x): the kth extended Wiener index kW is equal to the kth derivative of HG(x), evaluated at x=1, in which case 1W is just the original Wiener number.

Article information

Article type
Paper

New J. Chem., 1998,22, 819-822

Extended Wiener indices. A new set of descriptors for quantitative structure-property studies

E. Estrada, O. Ivanciuc, I. Gutman, A. Gutierrez and L. Rodríguez, New J. Chem., 1998, 22, 819 DOI: 10.1039/A709255E

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