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Prediction of Aqueous Solubility of Organic Compounds from Molecular Structure.

Brooke E. MitchellPeter C. Jurs
Published in: J. Chem. Inf. Comput. Sci. (1998)
Keyphrases
  • molecular structure
  • prediction accuracy
  • case study
  • prediction model
  • prediction error
  • prediction algorithm
  • databases
  • real world
  • metadata
  • np hard
  • phase transition