A Model to Search for Synthesizable Molecules.

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

Published in: NeurIPS (2019)

Keyphrases

mathematical model
data sets
high level
search algorithm
probabilistic model
computational model
conceptual model
formal model
database
neural network
information retrieval
decision making
probability distribution
theoretical framework
network structure
simulation model