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Evaluation and Optimization of Virtual Screening Workflows with DEKOIS 2.0 - A Public Library of Challenging Docking Benchmark Sets.

Matthias R. BauerTamer M. IbrahimSimon M. VogelFrank M. Boeckler
Published in: J. Chem. Inf. Model. (2013)
Keyphrases
  • virtual screening
  • real world
  • chemical structures
  • data processing
  • drug discovery
  • data sets
  • multi dimensional