Permutation Invariant Graph-to-Sequence Model for Template-Free Retrosynthesis and Reaction Prediction.

Zhengkai Tu Connor W. Coley

Published in: J. Chem. Inf. Model. (2022)

Keyphrases

probabilistic model
prediction model
computational model
formal model
high level
classification models
graph representation
neural network
social networks
probability distribution
prediction accuracy
object model
hybrid model
graph model
prediction algorithm