Hydrophobic HINT program

Two groups have developed hydrophobic fields for CoMFA 3D-QSAR applications. The HINT (hydrophobic interaction) program calculates the hydrophobic field of a molecule using Hansch-Leo hydrophobic constants scaled by surface area and a distance-dependent function. The MLP program... 

Other fields than those implemented in the CoMFA program have been proposed for 3D QSAR analyses, e.g. different interaction fields calculated by the program GRID [33, 909, 910] or hydrophobic fields derived from HINT [918 — 921] (chapter 9.2). In addition, any other parameters, e.g. physicochemical properties like log P or quantum-chemical indices, may be added to the X block, if they are properly... 

In addition or alternatively to these fields, hydrophobic fields, calculated e.g., by the program HINT, or GRID fields can be used. Arbitrary weights may be attributed to the different fields. An appropriate scaling of all variables has to be performed if additional properties, e.g., the lipophilicity parameter log P P = n-octanol/water partition coefficient), are included, to give a comparable weight to the individual fields and the single parameter(s). 

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