Generating Molecules via Chemical Reactions.

John Bradshaw Matt J. Kusner Brooks Paige Marwin H. S. Segler José Miguel Hernández-Lobato

Published in: DGS@ICLR (2019)

Keyphrases

chemical reactions
chemical reaction
organic chemistry
amino acids
database
learning algorithm
social networks
decision trees
high level
face recognition
multiscale
data structure
preprocessing
probabilistic model
augmented reality
generation process