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Mathematical deep learning for pose and binding affinity prediction and ranking in D3R Grand Challenges.
Duc Duy Nguyen
Zixuan Cang
Kedi Wu
Menglun Wang
Yin Cao
Guo-Wei Wei
Published in:
J. Comput. Aided Mol. Des. (2019)
Keyphrases
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deep learning
grand challenges
unsupervised learning
unsupervised feature learning
weakly supervised
machine learning
grand challenge
pairwise
mental models
mid term
computational intelligence
learning strategies
automatic extraction
higher order
d objects
information retrieval
data mining