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Can Pretrained Models Really Learn Better Molecular Representations for AI-Aided Drug Discovery?

Ziqiao ZhangYatao BianAilin XiePengju HanShuigeng Zhou
Published in: J. Chem. Inf. Model. (2024)
Keyphrases
  • drug discovery
  • artificial intelligence
  • complex systems
  • virtual screening
  • biological systems
  • drug design
  • quantitative structure activity
  • probabilistic model
  • data mining tools
  • chemical compounds
  • early stage