3DGraphX: Explaining 3D Molecular Graph Models via Incorporating Chemical Priors Conference

Liu, Xufeng, Luo, Dongsheng, Gao, Wenhan et al. (2025). 3DGraphX: Explaining 3D Molecular Graph Models via Incorporating Chemical Priors . 859-870. 10.1145/3690624.3709302

cited authors

  • Liu, Xufeng; Luo, Dongsheng; Gao, Wenhan; Liu, Yi

authors

date/time interval

  • August 3, 2025 -

publication date

  • January 1, 2025

keywords

  • 3D molecular graph explanation
  • 3D motifs
  • geometry-level explanation
  • instance-level explanation

Location

  • CANADA, Toronto

Digital Object Identifier (DOI)

Conference

  • 31st International Conference on Knowledge Discovery and Data Mining-KDD

publisher

  • ASSOC COMPUTING MACHINERY

start page

  • 859

end page

  • 870