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MetFrag relaunched: incorporating strategies beyond in silico fragmentation.

Christoph RuttkiesEmma SchymanskiSebastian WolfJuliane HollenderSteffen Neumann
Published in: J. Cheminformatics (2016)
Keyphrases
  • multiscale
  • computer simulation
  • real time
  • databases
  • data mining
  • machine learning
  • information retrieval
  • genetic algorithm
  • digital libraries