QuACN (version 1.8.0)

weightedID: Weighted ID number

Description

This method calculates the weighted ID number.

Usage

weightedID(g, dsc=NULL)

Arguments

g

a graph as a graphNEL object.

dsc

the distance-sum-connectivity matrix of g. Will be automatically calculated if not supplied.

Value

ID number (WID) and the self-returning ID number (SID). The former is based on the sum of all walks weighted according to vertex distance degrees. The latter is limited to self-returning walks.

References

K. Szymanski, W. Mueller, J. Knop, and N. Trinajsti\'c. On the Identification Numbers for Chemical Structures. International Journal of Quantum Chemistry, 30(S20):173-183, 1986

Examples

set.seed(987)
g <- randomEGraph(LETTERS[1:10], 0.3)

weightedID(g)