Publications & Presentations


Capturing and Applying Knowledge to Guide Compound Optimisation

Friday, 22 February 2019 13:23
Matt Segall

This article was published in the online edition of Drug Discovery Today; February 2019

Matthew Segall, Tamsin Mansley, Peter Hunt, Edmund Champness


Successful drug discovery requires knowledge and experience across many disciplines and no current ‘artificial intelligence’ method can replace expert scientists. However, computers can recall much more information than any individual or team and facilitate transfer of knowledge across disciplines. We’ll discuss how knowledge relating to chemistry and the biological and physicochemical properties required for a successful compound can be captured. Furthermore, we’ll illustrate how, by combining and applying this knowledge computationally, a much broader range of optimisation strategies can be rigorously explored, and the results presented in an intuitive way for consideration by the experts.

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Last Updated on Wednesday, 06 March 2019 11:50