Constitutional
Topological
Geometrical
Electrostatic
CPSA
Quantum-chemical
MO-related
Thermodynamical
Fractional partial negative surface area
Definition:
PNSA1
– partial negatively charged molecular surface area
TMSA
- total molecular surface area
Reference:
D.T. Stanton, P.C. Jurs, Anal. Chem.,
1990
62
, 2323; D.T. Stanton, L.M. Egolf, P.C. Jurs, M.G. Hicks, J. Chem. Inf. Comput. Sci.,
1992
32
, 306.
University of Florida 2001.
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