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Prediction of chemical reaction yields using deep learning.

Philippe SchwallerAlain C. VaucherTeodoro LainoJean-Louis Reymond
Published in: Mach. Learn. Sci. Technol. (2021)
Keyphrases
  • deep learning
  • chemical reaction
  • unsupervised learning
  • machine learning
  • unsupervised feature learning
  • weakly supervised
  • restricted boltzmann machine
  • deep architectures
  • object detection