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Retrosynthetic reaction prediction using neural sequence-to-sequence models.
Bowen Liu
Bharath Ramsundar
Prasad Kawthekar
Jade Shi
Joseph Gomes
Quang Luu Nguyen
Stephen Ho
Jack Sloane
Paul Wender
Vijay S. Pande
Published in:
CoRR (2017)
Keyphrases
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prediction model
prior knowledge
neural network
prediction accuracy
probabilistic model
model selection
generative model
statistical models
statistical methods
hybrid model
network architecture
sequence analysis
mathematical modeling