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Donor solvent accessible volume

Kaznessis et al. [24] used Monte Carlo simulations on a data set of 85 molecules collected from various sources, to calculate physically significant descriptors such as solvent accessible surface area (SASA), solute dipole, number of hydrogen-bond acceptors (HBAC) and donors (HBDN), molecular volume (MVOL), and the hydrophilic, hydrophobic, and amphiphilic components of SASA and related them with BBB permeability using the MLR method. After removing nine strong outliers, the following relationship was developed (Eq. 37) ... [Pg.525]

See other pages where Donor solvent accessible volume is mentioned: [Pg.324]    [Pg.197]    [Pg.417]    [Pg.273]    [Pg.467]    [Pg.1963]    [Pg.307]    [Pg.52]    [Pg.682]    [Pg.686]   
See also in sourсe #XX -- [ Pg.324 ]



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