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Measuring experimental cyclohexane-water distribution coefficients for the SAMPL5 challenge.

Ariën S. RustenburgJustin DancerBaiwei LinJianwen A. FengDaniel F. OrtwineDavid L. MobleyJohn D. Chodera
Published in: J. Comput. Aided Mol. Des. (2016)
Keyphrases
  • water distribution
  • mathematical model
  • moving objects
  • artificial neural networks
  • image data
  • management system
  • experimental data
  • global optimization