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Validation of a Field-Based Ligand Screener Using a Novel Benchmarking Data Set for Assessing 3D-Based Virtual Screening Methods.

Ilenia GiangrecoAbhik MukhopadhyayJason C. Cole
Published in: J. Chem. Inf. Model. (2021)
Keyphrases
  • data sets
  • virtual screening
  • real world
  • preprocessing
  • machine learning
  • data structure
  • training set
  • data mining methods