title: Aqueous solubility: simple predictive methods (in silico, in vitro and bio-relevant approaches).
abstract: Aqueous solubility is a key physicochemical attribute required for the characterisation of an active pharmaceutical ingredient (API) during drug discovery and beyond. Furthermore, aqueous solubility is highly important for formulation selection and subsequent development processes. This review provides a summary of simple predictive methods used to assess aqueous solubility as well as an assessment of the more complex in silico methodologies and a review of the recent solubility challenge. In addition, a summary of experimental methods to determine solubility is included, with a discussion of some potential pitfalls.
authors.affiliation: GSK Pharmaceuticals, Park Road, Ware, Hertfordshire, SG12 0DP, United Kingdom.
authors.forename: David
authors.initials: D
authors.lastname: Elder
authors.forename: René
authors.initials: R
authors.lastname: Holm
mesh_terms: D002626:Chemistry, Pharmaceutical; D003198:Computer Simulation; D006801:Humans; D008956:Models, Chemical; D004364:Pharmaceutical Preparations / Q000737:chemistry*; D012995:Solubility; D014867:Water / Q000737:chemistry*
chemical_list: D004364:Pharmaceutical Preparations; D014867:Water
keywords: Aqueous solubility; Drug formulation; Equilibrium solubility; In silico solubility; Kinetic solubility; Predicting solubility; Solubility challenge