aqueous solubilities - summary part 2

[Christian.Pilger $#at#$ bc.boehringer-ingelheim.com]

> Dear colleagues,
 >
 > I received two more replies to my inquiry on the prediction of aqueous
 > solubilities:
 >
 > Pieter Stouten [pieter.stouten $#at#$ pharmacia.com] has made available a
 series
 > of very informative slides, that can be downloaded from
 > http://www.shogi.net/solubility/
 >
 > Wayne Steinmetz [WES04747 $#at#$ pomona.edu] suggests the following:
 >
 >  I intended to respond to your request earlier but fell behind in my other
 > work.  I spent my third sabbatical leave at Abbott Laboratories with the
 > goal of learning modeling techniques.  This included CoMFA.  As a vehicle
 > for mastering CoMFA, I developed a model for the solubility of amino acids
 > in water.  The work is reported in Quant. Struct.-Act. Relat.,
 > 14, 14-23 (1995).  A great deal of time was invested in the calculations.
 > Automating the procedure would be challenging.  I agree with one of the
 > respondents.  Solubility depends on a number of factors including the
 > crystallographic space group of the solid solute.  I'm not confident that
 > one model can accommodate all the variables.
 >
 >
 > Again, thank you very much !
 >
 > Best regards,
 >
 > Christian
 > ________________________________________________________________
 >
 >    Dr. Christian Pilger
 >    Dept. Chemical Research / Structural Research
 >    K91-00-10
 >    Boehringer Ingelheim Pharma KG
 >    D-88397 Biberach/Germany
 >    Phone: 07351-545749
 >    Fax:     07351-5497924
 >    mailto: christian.pilger $#at#$ bc.boehringer-ingelheim.com
 >