Abstract

According to the definition of molecular connectivity and the definition of the Wiener index, a novel set of Wiener indices ( mV t ) were defined, named novel Wiener index. The potential usefulness of the novel Wiener index in QSAR/QSPR is evaluated by its correlation with a number of C 3–C 8 alkanes and by a favorable comparison with models based on molecular connectivity index and Wiener index.

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