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CSBBB

     ...Representative Compounds

CSBBB  Training-Set Compounds

Listed below are 23 representative compounds from the CSBBB training set

All calculated logBB values were made using CSBBB and the 2D structures of the drugs.  Both the 2D structure and the observed logBB values were taken from the 11 sources listed below. (1-11)

(1) R. C. Young (1988) J. Med. Chem. 31, 656;  (2) M. H. Abraham (1994) J. Pharm. Sci. 83, 1257;  (3) T. Salminem (1997) J. Pharm. Biomed. Anal. 15, 469;  (4) D. E. Clark (1999) J. Pharm. Sci. 83, 815;  (5) J. M. Luco (1999) J. Chem. Inf. Comput. Sci. 39, 396;  (6) M. Yazdanian (1998) J Pharm. Sci. 87, 306;  (7) N. H. Grieg (1995) in New Concepts of a Blood Brain Barier, Plenum: New York, 251;  (8) J. H. Lin (1994) J. Pharmacol. Exptl. Therapeut. 271, 1217;  (9) F. Lombardo  (1996)J. Med. Chem. 39, 4750;  (10) K. Van Belle (1995) J. Pharmacol. Exptl. Therapeut.272, 1217;  (11) J. A. D. Calder (1994) Drug Design Discovery 11, 259.