Topological Indexes and QSAR

TIs have been used in developing QSAR models for predicting various properties. We give below some examples of successful QSARs using TIs. Definitions of the TIs used in the following equations and throughout this chapter may be found in Table 2. 

Information index for the magnitudes of distances between all possible pairs of vertices of a graph 

Mean information index for the magnitude of distances Mean information index for the equality of distances 

Wiener index = half-sum of the off-diagonal elements of the distance matrix of a graph Degree complexity Graph vertex complexity Graph distance complexity 

Information content of the distance matrix partitioned by frequency of occurrences of distance h 

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