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Automated Generation of Novel Fragments Using Screening Data, a Dual SMILES Autoencoder, Transfer Learning and Syntax Correction.
Alan E. Bilsland
Kirsten McAulay
Ryan West
Angelo Pugliese
Justin Bower
Published in:
J. Chem. Inf. Model. (2021)
Keyphrases
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transfer learning
data sets
data sources
data analysis
data points
labeled data
test data
cross domain
neural network
data mining
learning algorithm
pairwise
unlabeled data
training samples
data distribution
knowledge transfer