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Torsional Energy Barriers of Biaryls Could Be Predicted by Electron Richness/Deficiency of Aromatic Rings; Advancement of Molecular Mechanics toward Atom-Type Independence.

Wanlei WeiCandide ChampionZhaomin LiuStephen J. BarigyePaul LabuteNicolas Moitessier
Published in: J. Chem. Inf. Model. (2019)
Keyphrases
  • van der waals
  • total energy
  • energy consumption
  • energy minimization
  • conditional independence
  • high energy
  • image segmentation
  • gene expression