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A chemistry Wiki to facilitate and enhance chemical design in drug discovery

Lookup NU author(s): Professor Mike Waring

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Abstract

At AstraZeneca a focus on hypothesis-driven design and the formation of drug design teams has placed a greater emphasis on collaboration in the drug discovery process. We have created a novel software tool based on the principles of wikis and social networks to facilitate collaborative working, visual planning and incorporation of predictive science to improve design capability. Monitoring the design and make process via the tool enabled the identification of bottlenecks and delays. Solutions to these problems were implemented, reducing the time taken from the initial idea stage to the generation of the synthesised compound by more than 50%.


Publication metadata

Author(s): Robb GR, McKerrecher D, Newcombe NJ, Waring MJ

Publication type: Article

Publication status: Published

Journal: Drug Discovery Today

Year: 2013

Volume: 18

Issue: 3-4

Pages: 141-147

Print publication date: 01/02/2013

Online publication date: 11/09/2012

ISSN (print): 1359-6446

ISSN (electronic): 1878-5832

Publisher: Elsevier

URL: http://dx.doi.org/10.1016/j.drudis.2012.09.002

DOI: 10.1016/j.drudis.2012.09.002


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