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. 2022 Apr 21;62(10):2301–2315. doi: 10.1021/acs.jcim.1c01510

Figure 6.

Figure 6

Pearson correlations between docking scores and binding affinities using seven pose classification models for the PDB ion channel data set. (a) Vina scores of top-ranked poses, (b) average Vina scores of all docking poses, and (c) average Vina scores across correct poses filtered by the proposed pose classifier (3D-CNN_ia).