Optibrium
Drug Discovery Today: Capturing and Applying Knowledge to Guide Compound Optimisation Drug Discovery Today; V24 No.5 May 2019 Matthew Segall, Tamsin Mansley, Peter Hunt, Edmund Champness Successful drug discovery requires knowledge and experience across many disciplines, and no current 'artificial intelligence' (AI) method can replace expert scientists. However, computers can recall more information than any individual or team and facilitate the transfer of knowledge across disciplines. Here, we discuss how knowledge relating to chemistry and the biological and physicochemical properties required for a successful compound can be captured. Furthermore, we illustrate how, by combining and applying this knowledge computationally, a broader range of optimisation strategies can be rigorously explored, and the results presented in an intuitive way for consideration by the experts. #CADD #Drug #Discovery #Zastra #Optibrium #StarDrop Webpage: https://ift.tt/2RGnb2W Bengaluru: June 29, 2019 at 10:14AM |
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