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Is scaffold hopping a reliable indicator for the ability of computational methods to identify structurally diverse active compounds?

Dilyana DimovaJürgen Bajorath
Published in: J. Comput. Aided Mol. Des. (2017)
Keyphrases
  • computational methods
  • computational approaches
  • statistical methods
  • computational tools
  • protein protein interactions
  • secondary structure
  • data sets
  • real world
  • drug discovery
  • sequence similarity