ACS Central Science (Aug 2019)

Molecular Transformer: A Model for Uncertainty-Calibrated Chemical Reaction Prediction

  • Philippe Schwaller,
  • Teodoro Laino,
  • Théophile Gaudin,
  • Peter Bolgar,
  • Christopher A. Hunter,
  • Costas Bekas,
  • Alpha A. Lee

DOI
https://doi.org/10.1021/acscentsci.9b00576
Journal volume & issue
Vol. 5, no. 9
pp. 1572 – 1583

Abstract

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