Fig 11. LIME analysis evaluating the reliability of predictions of a DNN model trained for classification of HIV Abs based on their binding preference.

^a The column lists images of arbitrary fingerprints associated with HIV Abs binding to SITE1 and SITE2 as defined in Fig 7. ^b Images in this column show to the most relevant pixels from the analyzed fingerprint used by the DNN model to generate the associations with the correct Ab. ^c The column contains images generated as the superposition of three elements, a) green color represent the most relevant pixels used by the DNN to generate the prediction, i.e., those shown in the image from column 3; b) bright red pixels have the most negative contribution to the prediction; and c) the remaining pixels from the original fingerprint image. ^d This column contains heatmap images describing the contribution of each pixels on the fingerprint to the prediction generated by the DNN model. The color scale ranges from dark blue for the most relevant contributions to dark red for the most negative ones. The color scale is selected independently for each heatmap based on the scores assigned by LIME.