Szeged index
In chemical graph theory, the Szeged index is a topological index of a molecule, used in biochemistry. The Szeged index, introduced by Iván Gutman, [1] generalizes the concept of the Wiener index introduced by Harry Wiener. The Szeged index of a connected graph G is defined as
If e is an edge of G connecting vertices u and v, then we write e = uv or e = vu. For , let and be respectively the number of vertices of G lying closer to vertex u than to vertex v and the number of vertices of G lying closer to vertex v than to vertex u.
Szeged index plays an important role in information theory. One way to measure a network structure is through the so-called topological indices. Szeged index has been shown to correlate well with numerous biological and physicochemical properties.
Examples[]
The Szeged index of Dendrimer Nanostar of the following figure can be calculated by[2]
References[]
- ^ Gutman, I. (1994), "A formula for the Wiener number of trees and its extension to graphs containing cycles", Graph Theory Notes,NY, 27: 9–15.
- ^ Khalifeh, M.H.; Darafsheh, M.R; Jolany, H. (2011), "The Wiener, Szeged, and PI Indices of a Dendrimer Nanostar", Journal of Computational and Theoretical Nanoscience, 8 (2): 220–223, Bibcode:2011JCTN....8..220K, doi:10.1166/jctn.2011.1681.
- Mathematical chemistry
- Cheminformatics
- Graph invariants