Batch-mode solubility prediction

In summary, poor aqueous solubility is the single physicochemical property that is most likely to be problanati-cal in a combinatorial library. It can be avoided in part by intelligent use of batch-mode solubility calculatious. The 

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Identification and evaluation of molecular properties related to precUnical optimization and cUnical fate. Med. Chem. 2005, y, 649-655. 

Morphy, R. The influence of target family and functional activity on the physicochemical properties of pre-cUnical compounds. J. Med. Chem. 2006,49,2969-2978. 

Lipinski, C. A., Lombardo, F., Dominy, B. W., Feeney, P. J. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv. Drug Deliv. Rev. 2001,46,3-26. 

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