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Slipper Prediction

The application of Eq. (6) to predict lipophilicity for compounds with several functional groups runs into problems. The difficulties are associated with intramolecular interactions, which could not be addressed by addihve schemes as used in the SLIPPER model. Therefore, the authors correct the logP prediction of a given molecule according to the lipophilicity values of the nearest neighbors by using cosine similarity measures and molecular fragments [13, 14]. [Pg.384]

E. SLIPPER-2001 - software for predicting molecular properties on the basis of physicochemical descriptors and structural similarity. /. Chem. Inf. Comput. Sci. 2002, 42, 540-549. [Pg.402]

The solute size (larger molecules favors octanol) together with solute hydrogen-bond basicity (favors water) were named as the main parameters of the LFER equation for prediction lipophilicity of chemicals [40,69], The other methods from this group include SLIPPER [70], SPARC [36,71], as well as approaches developed within MOD theory [72,73],... [Pg.252]


See other pages where Slipper Prediction is mentioned: [Pg.254]    [Pg.254]    [Pg.382]    [Pg.397]    [Pg.397]    [Pg.399]    [Pg.254]   
See also in sourсe #XX -- [ Pg.254 ]




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