The computational prediction of pharmaceutical crystal structures and polymorphism.

@article{Price2004TheCP,
  title={The computational prediction of pharmaceutical crystal structures and polymorphism.},
  author={Sarah L. Price},
  journal={Advanced drug delivery reviews},
  year={2004},
  volume={56 3},
  pages={
          301-19
        }
}
A computational method of predicting all the polymorphs of an organic molecule would be a valuable complement to polymorph screening in the developmental phase. Such a computational method is in its early stages of development, and the current methodologies, which are based on searches for the most stable lattice structure, are critically reviewed. This crude thermodynamic approach generally overestimates the propensity for polymorphism, at least for most of the molecules studied so far… CONTINUE READING
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