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A multitask GNN-based interpretable model for discovery of selective JAK inhibitors.

Yimeng WangYaxin GuChaofeng LouYuning GongZengrui WuWeihua LiYun TangGuixia Liu
Published in: J. Cheminformatics (2022)
Keyphrases
  • probabilistic model
  • prior knowledge
  • bayesian inference
  • data sets
  • learning process
  • knowledge discovery
  • image classification
  • theoretical analysis