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The potential of computed crystal energy landscapes to aid solid-form development

Price, SL; Reutzel-Edens, SM; (2016) The potential of computed crystal energy landscapes to aid solid-form development. Drug Discovery Today 10.1016/j.drudis.2016.01.014. Green open access

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Abstract

Solid-form screening to identify all solid forms of an active pharmaceutical ingredient (API) has become increasingly important in ensuring the quality by design of pharmaceutical products and their manufacturing processes. However; despite considerable enlargement of the range of techniques that have been shown capable of producing novel solid forms; it is possible that practically important forms might not be found in the short timescales currently allowed for solid-form screening. Here; we report on the state-of-the-art use of computed crystal energy landscapes to complement pharmaceutical solid-form screening. We illustrate how crystal energy landscapes can help establish molecular-level understanding of the crystallization behavior of APIs and enhance the ability of solid-form screening to facilitate pharmaceutical development.

Type: Article
Title: The potential of computed crystal energy landscapes to aid solid-form development
Open access status: An open access version is available from UCL Discovery
DOI: 10.1016/j.drudis.2016.01.014
Publisher version: http://dx.doi.org/10.1016/j.drudis.2016.01.014
Language: English
UCL classification: UCL
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry
URI: https://discovery.ucl.ac.uk/id/eprint/1474462
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