Xsmiles: interactive visualization for molecules, smiles and xai attribution scores

HIGHLIGHTS

  • who: Henry Heberle from the (UNIVERSITY) have published the paper: XSMILES: interactive visualization for molecules, SMILES and XAI attribution scores, in the Journal: (JOURNAL)
  • what: For instance a substring contains 3 non-atom tokens i.e. and their attributions depending on the model are not necessarily revealing an influence of the nitrogen atom over the predicted property; for that reason it is not possible to represent the on a diagram. The authors propose an technique to explore attributions and support the interpretation of Users can input any type of score attributed to atom and non . . .

     

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