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Data Augmentation and Pretraining for Template-Based Retrosynthetic Prediction in Computer-Aided Synthesis Planning.
Michael E. Fortunato
Connor W. Coley
Brian C. Barnes
Klavs F. Jensen
Published in:
J. Chem. Inf. Model. (2020)
Keyphrases
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x ray
computer aided
data sets
raw data
computer assisted
data analysis
database
prediction accuracy
machine learning
face recognition
data sources
data points
knowledge discovery
statistical methods
data quality
computer aided design