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Enhancing Retrosynthetic Reaction Prediction with Deep Learning Using Multiscale Reaction Classification.
Javier L. Baylon
Nicholas A. Cilfone
Jeffrey R. Gulcher
Thomas W. Chittenden
Published in:
J. Chem. Inf. Model. (2019)
Keyphrases
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deep learning
multiscale
machine learning
unsupervised learning
pattern recognition
restricted boltzmann machine
decision trees
text classification
support vector
feature selection
data sets
feature extraction
training set
supervised learning
decision making
feature space