Figure 3 | Scientific Reports

Figure 3

From: Layer-wise relevance propagation of InteractionNet explains protein–ligand interactions at the atom level

Figure 3

(a) Scatterplot and (b) error distribution of predicted and experimental Kd values for 419 complexes included in the test set. (a) The scatterplot for predicted versus experimental Kd is depicted with the trend line (a solid line). (b) The error histogram (orange) and distribution (black) for predictions from the test set. The most similar trial in performance to the average was selected for depicting the graphs in the cross-validation trials.

Back to article page