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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. Glen
Published in: J. Cheminformatics (2013)
Keyphrases
  • small number
  • higher dimensional
  • genetic algorithm
  • information systems
  • low dimensional
  • space time
  • hidden markov models