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Merck molecular force field. V. Extension of MMFF94 using experimental data, additional computational data, and empirical rules.

Thomas A. Halgren
Published in: J. Comput. Chem. (1996)
Keyphrases
  • experimental data
  • high quality
  • observational data
  • prior knowledge
  • image data
  • parameter estimates
  • multiscale
  • causal structure