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A Deep-Learning View of Chemical Space Designed to Facilitate Drug Discovery.
Paul Maragakis
Hunter M. Nisonoff
Brian Cole
David E. Shaw
Published in:
J. Chem. Inf. Model. (2020)
Keyphrases
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drug discovery
deep learning
chemical compounds
virtual screening
pharmaceutical industry
unsupervised learning
early stage
discovery process
scientific data
systems biology
machine learning
knowledge discovery
data mining tools
complex systems
weakly supervised