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SAMPL6 blind predictions of water-octanol partition coefficients using nonequilibrium alchemical approaches.

Piero ProcacciGuido Guarnieri
Published in: J. Comput. Aided Mol. Des. (2020)
Keyphrases
  • strengths and weaknesses
  • data sets
  • alternative approaches
  • data mining
  • artificial intelligence
  • multiscale
  • multi agent
  • probabilistic model
  • digital images
  • basis functions