From structure to crystallisation and pharmaceutical manufacturing: the CSD in CMAC Workflows

Hatcher, Lauren E. ORCID: https://orcid.org/0000-0002-1549-9727, Burgess, Ayrton J., Payne, Pollyanna and Wilson, Chick C 2020. From structure to crystallisation and pharmaceutical manufacturing: the CSD in CMAC Workflows. CrystEngComm 22 , pp. 7475-7489. 10.1039/D0CE00898B

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Abstract

Two Workflows are presented that are relevant to the design and construction of end-to-end pharmaceutiucal manufacturing processes. The Workflows target the very early stage crystallisation aspect of these processes – production of the primary crystalline solid form – and relate to establishing decision-driven approaches for the screening for multi-component forms, specifically co-crystals, and to the use of additives to control crystal and primary particle form, notably morphology. These Workflows are shown to benefit from the use of the Million-plus structures in the Cambridge Structural Database and the associated structural informatics and analysis tools and are placed into the context of the work of the CMAC Future Manufacturing Hub.

Item Type:	Article
Date Type:	Publication
Status:	Published
Schools:	Chemistry
Publisher:	Royal Society of Chemistry
ISSN:	1466-8033
Date of First Compliant Deposit:	23 September 2020
Date of Acceptance:	15 September 2020
Last Modified:	04 May 2023 13:13
URI:	https://orca.cardiff.ac.uk/id/eprint/135035

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