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Discovery of novel dual adenosine A1/A2A receptor antagonists using deep learning, pharmacophore modeling and molecular docking.
Mukuo Wang
Shujing Hou
Yu Wei
Dongmei Li
Jianping Lin
Published in:
PLoS Comput. Biol. (2021)
Keyphrases
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deep learning
drug discovery
restricted boltzmann machine
unsupervised learning
discovery process
machine learning
knowledge discovery
weakly supervised
unsupervised feature learning
data mining
deep architectures
pattern recognition
viewpoint
dimensionality reduction
mental models