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Critical Assessment of Small Molecule Identification 2016: automated methods.

Emma SchymanskiChristoph RuttkiesMartin KraussCéline BrouardTobias KindKai DührkopFelicity AllenArpana VaniyaDries VerdegemSebastian BöckerJuho RousuHuibin ShenHiroshi TsugawaTanvir SajedOliver FiehnBart GhesquièreSteffen Neumann
Published in: J. Cheminformatics (2017)
Keyphrases
  • small number
  • neural network
  • website
  • multiscale
  • database
  • computer vision
  • decision making
  • automatic identification
  • small fraction
  • medium size
  • identification rate