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Affinity prediction using deep learning based on SMILES input for D3R grand challenge 4.
Sangrak Lim
Yong Oh Lee
Juyong Yoon
Young Jun Kim
Published in:
J. Comput. Aided Mol. Des. (2022)
Keyphrases
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deep learning
grand challenge
unsupervised learning
machine learning
unsupervised feature learning
autonomous driving
deep architectures
weakly supervised
pairwise
pattern recognition
viewpoint
mental models
restricted boltzmann machine
grand challenges
feature selection
decision trees