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Lipophilicity force field profile: an expressive visualization of the lipophilicity molecular potential gradient
F Croizet1, M H Langlois, J P Dubost
1Groupe d'Etude des Relations Structure-Activité et d'Analyse Chimique, Laboratoire de Chimie Analytique U.R.A. 605, Bordeaux, France.
Journal of Molecular Graphics
|September 1, 1990
Abstract:
This paper proposes a new tool that allows us to see the following in the same frame: (1) 3D geometrical features of a molecule, and (2) pseudo-3D representation of the lipophilicity molecular potential. It thus becomes very easy to compare the lipophilicity molecular potential gradient of different molecules having the same pharmacological properties. An example of two structurally dissimilar anti-PAF molecules is given.