Prediction of aqueous solubility in drug design.
This review discusses the recent advances in methods developed for the prediction of aqueous solubility of organic compounds with complex molecular structure. The development of thermodynamic models has increased the understanding of this process and strengthened the theoretical grounds of empirical model development. New empirical approaches with promising results have been published, however, more research is needed to properly validate the methods to render them useful in drug design.
Taskinen
J
J
Division of Pharmaceutical Chemistry, Department of Pharmacy, PO Box 56, FIN-00014 University of Helsinki, Finland. Jyrki.Taskinen@helsinki.fi