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...RepresentativeCompounds

CSLogD  External Validation Compounds

Below are 34 representative compounds from the CSLogD external validation set.

All predicted LogD values were made using CSLogD and the 2D structures of the drugs.  The latter were obtained from the Merck Index (ver.13).  Observed LogP values were for neutral compounds taken from several sources (1,2,3) and used to compare calculated LogP results employed internally within the CSLogD program.  A value from CLPgP was used in cases where an experimental Log P value was not available.

(1). Kow from Sangster Research Laboratories, Montreal Quebec, Canada.

(2). CLogP, Biobyte StarList

(3). PhysProp, Syracuse Research Corp., Syracuse, NY.