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

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Abstract

Two workflows are presented that are relevant to the design and construction of end-to-end pharmaceutical 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.

Graphical abstract: From structure to crystallisation and pharmaceutical manufacturing: the CSD in CMAC workflows

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Supplementary files

Article information


Submitted
23 Jun 2020
Accepted
15 Sep 2020
First published
22 Sep 2020

This article is Open Access

CrystEngComm, 2020, Advance Article
Article type
Paper

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

L. E. Hatcher, A. J. Burgess, P. Payne and C. C. Wilson, CrystEngComm, 2020, Advance Article , DOI: 10.1039/D0CE00898B

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