Constitutional
Topological
Geometrical
Electrostatic
CPSA
Quantum-chemical
MO-related
Thermodynamic
Fractional hydrogen bonding acceptor ability of the molecule
FHASA1
Definition:
HASA1
-
hydrogen bonding acceptor ability
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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