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Permutation invariant graph-to-sequence model for template-free retrosynthesis and reaction prediction.
Zhengkai Tu
Connor W. Coley
Published in:
CoRR (2021)
Keyphrases
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computational model
graph model
high level
probabilistic model
mathematical model
formal model
prediction model
graph representation
experimental data
hybrid model
bayesian networks
graph theory
predictive model
graphical representation