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Freely available compound data sets and software tools for chemoinformatics and computational medicinal chemistry applications.

Ye HuJürgen Bajorath
Published in: F1000Research (2012)
Keyphrases
  • software tools
  • data sets
  • computational methods
  • real time
  • real world
  • training data
  • benchmark data sets
  • database
  • metadata
  • computational models
  • real world data sets
  • tool support
  • ieee lom