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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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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