Quantifying the shifts in physicochemical property space introduced by the metabolism of small organic molecules.
Johannes KirchmairAndrew HowlettJulio E. PeironcelyDaniel S. MurrellMark J. WilliamsonSamuel E. AdamsThomas HankemeierLeo van BurenGuus DuchateauWerner KlaffkeRobert C. GlenPublished in: J. Cheminformatics (2013)