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Early Methods of MLP Calculations

Considering the success of fragment methods, which apply additive models for log P predichon, one can assume that addihve approaches may also sahsfactory work for MLP. Indeed, similar to the Generalized Born model, one can consider fragments of molecules as centers of some potenhal functions and use an empirically defined distance function ) to calculate the MLP value by  [Pg.390]

The MLP potential defined by Eq. (20) was inhoduced in 80th simultaneously by several groups [44—46]. Dubost et al. [46] used a hyperbolic distance funchon and calculated pi using the fragmental system of Rekker [47]. The same funchon was also applied by Furet et al. [44] who used the fragmental system of Ghose and Grippen [48]. The MLP approach introduced by Fauchere et al. [45] used an expo- [Pg.390]


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