Empirical solvation models



 Dear CCL netters
 Could someone points to me some empirical methods to
 estimate free solvation energy of a molecule in
 aqueous solution?
 There are many solvation models to calculate free
 solvation energy such as QM SCRF methods, AMSOL, PB,
 GBSA, MD, MC and etc.  What we would like to know is
 the performance of empirical methods, i.e., what are
 their standard errors over a large set of experimental
 data or over other theoretical results, where an empirical
 approach will break down.
 I will summarize the replies if there are enough
 interests.
 Thanks,
 Jian Wang,  Ph.D
 Department of Pharmaceutical Chemistry     Tel:  (415)-476-2597 (O)
 Box 0446, Room S-1019                            (415)-752-2256 (H)
 University of California                   Fax:  (415)-476-0688 (O)
 San Francisco, CA94143-0446
 U.S.A.                                     Email: jianwang (+ at +) cgl.ucsf.edu