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. 2014 Feb 16;54(3):944–955. doi: 10.1021/ci500091r

Figure 5.

Figure 5

Test set performance of RF-Score with element descriptors and 12 Å interatomic distance cutoff using six different bin sizes (1 Å, 2 Å, 3 Å, 4 Å, 6 Å, and 12 Å). The best median performance is achieved by models with lower bin sizes (1 Å, 2 Å, and 3 Å), representing a modest improvement with respect to the model based on single-binned descriptors (12 Å).