Solubility prediction, solvate and cocrystal screening as tools for rational crystal engineering.

@article{Loschen2015SolubilityPS,
  title={Solubility prediction, solvate and cocrystal screening as tools for rational crystal engineering.},
  author={Christoph Loschen and Andreas Klamt},
  journal={The Journal of pharmacy and pharmacology},
  year={2015},
  volume={67 6},
  pages={803-11}
}
OBJECTIVES The fact that novel drug candidates are becoming increasingly insoluble is a major problem of current drug development. Computational tools may address this issue by screening for suitable solvents or by identifying potential novel cocrystal formers that increase bioavailability. In contrast to other more specialized methods, the fluid phase thermodynamics approach COSMO-RS (conductor-like screening model for real solvents) allows for a comprehensive treatment of drug solubility… CONTINUE READING