Figure 7.

Pearson correlations between the docking scores and binding affinities using seven pose classification models for the KCa3.1 channel inhibitor data set (left, Vina; right, Glide). (a) Vina scores of top-ranked poses, (b) average Vina scores of all docking poses, (c) average Vina scores across correct poses filtered by the proposed pose classifier (3D-CNN_i), (d) Glide scores of top-ranked poses, (e) average Glide scores of all docking poses, and (f) average Glide scores across correct poses filtered by the proposed pose classifier (3D-CNN_a).