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MolSHAP: Interpreting Quantitative Structure-Activity Relationships Using Shapley Values of R-Groups.

Tingzhong TianShuya LiMeng FangDan ZhaoJianyang Zeng
Published in: J. Chem. Inf. Model. (2024)
Keyphrases
  • quantitative structure activity
  • drug design
  • drug discovery
  • pairwise
  • game theory
  • social networks
  • data integration
  • early stage