Figure 4. Predicted cross-reactivity as a function of the similarity to the four different descriptors in the model obtained for the reduced training set (17 molecules).

It can be observed that an increased similarity to the cross-reactive peptides 22 and 25 increases the predicted cross-reactivity, while an increase in similarity to one of the non-cross-reactive peptides 103 and 107 decreases the predicted cross-reactivity.