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Revealing cytotoxic substructures in molecules using deep learning.
Henry E. Webel
Talia B. Kimber
Silke Radetzki
Martin Neuenschwander
Marc Nazaré
Andrea Volkamer
Published in:
J. Comput. Aided Mol. Des. (2020)
Keyphrases
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deep learning
unsupervised learning
machine learning
unsupervised feature learning
deep architectures
mental models
weakly supervised
restricted boltzmann machine
reinforcement learning
deep belief networks
training set