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A hybrid framework for improving uncertainty quantification in deep learning-based QSAR regression modeling.
Dingyan Wang
Jie Yu
Lifan Chen
Xutong Li
Hualiang Jiang
Kaixian Chen
Mingyue Zheng
Xiaomin Luo
Published in:
J. Cheminformatics (2021)
Keyphrases
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deep learning
data sets
machine learning
unsupervised learning
restricted boltzmann machine
unsupervised feature learning