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New Molecular Descriptors Based on Local Properties at the Molecular Surface and a Boiling-Point Model Derived from Them.

Bernd EhresmannMarcel J. de GrootAlexander AlexTimothy Clark
Published in: J. Chem. Inf. Model. (2004)
Keyphrases
  • computational model
  • three dimensional
  • probabilistic model
  • probability distribution
  • management system
  • theoretical analysis
  • high level
  • prior knowledge
  • mathematical model
  • objective function
  • multi view
  • human body