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Discovery of New Estrogen-Related Receptor α Agonists via a Combination Strategy Based on Shape Screening and Ensemble Docking.
Dongping Li
Kexin Jiang
Dan Teng
Zengrui Wu
Weihua Li
Yun Tang
Rui Wang
Guixia Liu
Published in:
J. Chem. Inf. Model. (2022)
Keyphrases
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neural network
ensemble learning
learning algorithm
breast cancer
shape descriptors
shape representation
drug discovery
computer vision
training data
training set
shape model
discovery process
pruning algorithm
feature selection
feature space
shape recognition