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- W1532331712 abstract "This chapter first outlines the general principles behind the computational approaches that have been successful in blind tests, with particular emphasis on the challenges for pharmaceutical molecules with their greater structural complexity. It then reviews some recent work where the crystal energy landscapes have been used as a complement to detailed experimental work on model pharmaceuticals, which indicates the potential use of crystal structure prediction (CSP) studies to complement experimental solid form screening. Hence the development of strategies for CSP studies of flexible molecules depending on both the molecular size and flexibility and purpose of study is an active area, with phenobarbital and the tyrosine kinase inhibitor axitinib (InlytaR) giving complementary examples to those outlined in this chapter. CSP studies focuses experimental solid form work more effectively to deal with complex systems and help reduce the potential problems of late appearing polymorphs." @default.
- W1532331712 created "2016-06-24" @default.
- W1532331712 creator A5003474186 @default.
- W1532331712 date "2015-05-22" @default.
- W1532331712 modified "2023-09-26" @default.
- W1532331712 title "Crystal Energy Landscapes for Aiding Crystal Form Selection" @default.
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- W1532331712 doi "https://doi.org/10.1002/9781118573983.ch2" @default.
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