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. 2016 Jan 11;56(2):275–285. doi: 10.1021/acs.jcim.5b00555

Figure 1.

Figure 1

Visual example of the binning system: Four groups of molecular structures are divided according to an activity boundary. For each bin, a conventional two-state Laplacian-corrected naïve Bayesian model is constructed using in bin versus not in bin as the classifier.