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Unified 2D and 3D Pre-Training of Molecular Representations.

Jinhua ZhuYingce XiaLijun WuShufang XieTao QinWengang ZhouHouqiang LiTie-Yan Liu
Published in: KDD (2022)
Keyphrases
  • training phase
  • three dimensional
  • training set
  • supervised learning
  • database
  • real world
  • support vector
  • test set
  • information systems
  • feature selection
  • website
  • active learning
  • training algorithm
  • unified model