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A hybrid framework for improving uncertainty quantification in deep learning-based QSAR regression modeling.

Dingyan WangJie YuLifan ChenXutong LiHualiang JiangKaixian ChenMingyue ZhengXiaomin Luo
Published in: J. Cheminformatics (2021)
Keyphrases
  • deep learning
  • data sets
  • machine learning
  • unsupervised learning
  • restricted boltzmann machine
  • unsupervised feature learning