Fig. 3
From: XSMILES: interactive visualization for molecules, SMILES and XAI attribution scores
The color domain is manually set to range from − 0.33 to 0.33 instead of − 0.6 and 0.6 as shown in Fig. 2, which uses the maximum absolute value among all attributions of this molecule (0.6) to define the color domain. Here, values above or equal to 0.33, or below or equal to − 0.33, are represented by bars with maximum size and strongest colors, and by the strongest colors and largest areas in the heatmap. In comparison with Fig. 2, this visualization emphasizes more the attributions that are closer to zero