Ntd. Nguyen et al., Molecular hydration probability - A new concept for calculating log P of amolecule from its 3D structure, ANALUSIS, 27(1), 1999, pp. 29-32
A new concept, the Molecular Hydration Probability (MHP), depending on the
3D structure of a molecule and on the composition of the first hydration sh
ell, is presented. The knowledge of MHP allows the estimation of virtual lo
g P on the van der Waals surface of molecules.