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Parametrization of Nonbonded Force Field Terms for Metal-Organic Frameworks Using Machine Learning Approach.

Vadim KorolevYuriy M. NevolinThomas A. ManzPavel V. Protsenko
Published in: J. Chem. Inf. Model. (2021)
Keyphrases
  • machine learning
  • force field
  • pattern recognition
  • model selection
  • feature selection
  • active contours
  • computer vision
  • three dimensional
  • active contour model