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Entropic and Enthalpic Contributions to Stereospecific Ligand Binding from Enhanced Sampling Methods.

Balder LaiGábor NagyJosé Antonio GarateChris Oostenbrink
Published in: J. Chem. Inf. Model. (2014)
Keyphrases
  • sampling methods
  • random sampling
  • sampling algorithm
  • class imbalance
  • original data
  • data sets
  • feature extraction
  • multi class