Constitutional
Topological
Geometrical
Electrostatic
CPSA
Quantum-chemical
MO-related
Thermodynamical
 

Structural information content index

Definition:

ni - number of atoms in the ith class

n - the total number of atoms in the molecule

k number of atomic layers in the coordination sphere around a given atom that are accounted for

Reference:

  1. S.C. Basak, D. K. Harriss, V. R. Magnuson, J. Pharm. Sci., 1984, 73, 429.

 
   
 
   
University of Florida 2001.
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