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Table 1 The most commonly used topological indices.

From: From functional food to medicinal product: Systematic approach in analysis of polyphenolics from propolis and wine

Index Expression for calculation Observation
Wiener index D i,j represents off-diagonal elements of matrix which stands for the shortest distance in term on number of bonds between atom i and j
Valence connectivity index v i and v j are weights (valence delta values) of vertices i and j making up edge in vertex weighted graph G
Balaban index the average distance sum connectivity; where E is the number of edges, μ is cyclomatic number of G and ds i is a distance sum
Information-theoretic index modified Shannon's equation where n is the number of different sets of elements, N i is the number of elements in the i-th set of elements and the sum is over all sets of elements
Shultz index molecular topological index (MTI) is based on adjacency matrix (A), the distance matrix (D) and the valency matrix (v); the of elements e i of the row matrix v [A+D] gives Shultz index