A novel Lu index to QSPR studies of aldehydes and ketones (Q882588)

The article defines the Lu index, which is a variation of the hyper-Wiener index, and then describes its correlation to normal boiling points, to molar refraction and to gas heat capacity of various aldehydes and ketones. The novelty of the index consists in using the shortest distance between two vertices of the corresponding graph, not as the path-distance (number of edges in the shortest path) but as the sum of relative bond lengths in the shortest path. The constructed QSPR models all have high correlation coefficients.