The Kier shape descriptor [tc00] can be defined as :
Pmax is the maximum number of paths of length 1. Pmin is the minimum number of paths of length 1 in a molecule graph of same atom number. P1 is the number of paths in the given molecule of length 1. or:
A means the number of nodes in the molecules graph. P1 is the number of paths of length 1 in the given molecule.
Next | ||
Bibliography |