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ReactXT: Understanding Molecular "Reaction-ship" via Reaction-Contextualized Molecule-Text Pretraining.

Zhiyuan LiuYaorui ShiAn ZhangSihang LiEnzhi ZhangXiang WangKenji KawaguchiTat-Seng Chua
Published in: CoRR (2024)
Keyphrases
  • chemical reactions
  • chemical reaction
  • free text
  • reaction diffusion
  • database
  • data sets
  • knowledge base
  • three dimensional
  • textual data
  • website
  • keywords
  • text mining
  • drug discovery
  • molecular dynamics