Descriptor

Kier Shape 1

The Kier shape descriptor [tc00] can be defined as :

Equation 1. Kier shape 1

P_max is the maximum number of paths of length 1. P_min 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:

Equation 2. Kier shape 1 (alternative formulation)

A means the number of nodes in the molecules graph. P1 is the number of paths of length 1 in the given molecule.

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