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, and DFT methods in evaluating metal-ligand bond strength, proton affinity, and interactions between first and second shell ligands in Zn-biomimetic complexes.

Gilles FrisonGilles Ohanessian
Published in: J. Comput. Chem. (2008)
Keyphrases
  • significant improvement
  • preprocessing
  • data mining
  • high dimensional data
  • frequency domain
  • machine learning methods