Figure 6 | Scientific Reports

Figure 6

From: Ensemble learning from ensemble docking: revisiting the optimum ensemble size problem

Figure 6

(a) Permutation importance of all 512 docking and molecular features averaged over repeats with different random seeds. (b) Distribution of average permutation importance of different physical contributions of docking features obtained by aggregating contributions from all receptors. The vertical lines correspond to the average importance of simple molecular features. (c) Distribution of permutation importance values of 20 most important features. (d) Enumeration rate of receptor chains against features sorted by permutation importance.

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