Real-Time Prediction of 1H and 13C Chemical Shifts with DFT Accuracy Using a 3D Graph Neural Network

  • Yanfei Guan
  • , S. V. Sowndarya
  • , Liliana C. Gallegos
  • , Peter St. John
  • , Robert Paton

Research output: Contribution to journal › Article › peer-review

105 Scopus Citations

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Chemistry

Biochemistry, Genetics and Molecular Biology