Quantifying the shifts in physicochemical property space introduced by the metabolism of small organic molecules
Johannes Kirchmair, Andrew Howlett, Julio E. Peironcely, Daniel S Murrell, Mark J. Williamson, Sam Adams, Thomas Hankemeier, Leo van Buren, Guus S.M.J.E. Duchateau, Werner Klaffke, Robert Charles Glen · Journal of Cheminformatics · 2013
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