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Predicting the Absorption Potential of Chemical Compounds Through a Deep Learning Approach.

Moonshik ShinDonjin JangHojung NamKwang Hyung LeeDoheon Lee
Published in: IEEE ACM Trans. Comput. Biol. Bioinform. (2018)
Keyphrases
  • deep learning
  • chemical compounds
  • unsupervised learning
  • machine learning
  • structural features
  • drug discovery
  • weakly supervised
  • mental models
  • graph databases
  • computer vision
  • probabilistic model
  • graph kernels