• Rajni M. BhardwajEmail author
Part of the Springer Theses book series (Springer Theses)


Pharmaceutical molecules frequently display multiple solid-state forms including polymorphs, salts, solvates, co-crystals and amorphous solids, which may differ in their physicochemical properties and ultimately can affect the bioavailability, ease of manufacturing and stability of the drug in formulation. Small changes in substituents in structurally related molecules can affect the molecular conformation, shape, H-bonding potential and can have significant effect on the packing forces and hence the adopted crystal structures and overall solid-state diversity. Various crystallization techniques are generally used to explore the solid-state diversity of a given molecule, yet the critical factors which governs the crystallization outcome under given set of process conditions often remain unclear. Therefore, the discovery and selection of potential commercial solid forms still largely depends on empirical relationships and user experience to select the initial experimental conditions and maximize the number of solid forms discovered. Crystal structure prediction is a significantly valuable complement to the experimental physical form screening yet it is still far from routine for complex systems. Given the associated challenges, it is important to develop improved experimental approaches for discovery of solid forms and utilizing computational methods to provide a better understanding of the factors underpinning the experimental outcomes and inexpensive predictive models.


Solid Form Tolfenamic Acid Patent Litigation Ranitidine Hydrochloride Pharmaceutical Molecule 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.


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© Springer International Publishing Switzerland 2016

Authors and Affiliations

  1. 1.Lilly Corporate CenterEli Lilly and CompanyIndianapolisUSA

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