Fig. 2

Single instance robustness analysis of XAI methods from three different angles: in-between method, in-between representation and in-between input. a Importance given to each input parameter varied over XAI methods, given a constant canonical SMILES input and encoder-decoder masked enumerated to canonical (ME2C) model. b Importance given to each input parameter varied over representations of the encoder-decoder model, given a constant canonical SMILES input and IG XAI method. c Importance given to each input parameter varied over different SMILES representations, given a constant canonical SMILES input, IG XAI method and encoder-decoder masked enumerated to canonical (ME2C) model