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Computational protocol for predicting 19F NMR chemical shifts for PFAS and connection to PFAS structure.

Maleigh MifkovicJessica PaulingShubham Vyas
Published in: J. Comput. Chem. (2022)
Keyphrases
  • graph databases
  • genetic algorithm
  • learning algorithm
  • lower bound
  • graph structure
  • data sets
  • structural information
  • formal analysis