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Predicting water-to-cyclohexane partitioning of the SAMPL5 molecules using dielectric balancing of force fields.

S. Shanaka ParanahewageCassidy S. GierhartChristopher J. Fennell
Published in: J. Comput. Aided Mol. Des. (2016)
Keyphrases
  • computer vision
  • control system
  • water quality
  • neural network
  • case study
  • steady state
  • water resources
  • water level
  • molecular structure