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. Author manuscript; available in PMC: 2016 Jul 21.
Published in final edited form as: J Chem Inf Model. 2014 Oct 7;54(10):2996–3004. doi: 10.1021/ci500445u

Table 5.

Test set assessment of Bayesian models of an expert's evaluation of the NIH chemical probes, a value of 1 = ideal. Each statistic is colored by the value, where blue is desirable and red is undesirable.

Model Test molecules AUC Sensitivity Specificity Precision Accuracy
N57 114 0.58 0.7 0.42 0.75 0.62
N57 120 0.55 0.69 0.42 0.91 0.66
N57 15 0.72 0.67 0.33 0.8 0.6
N170 21 0.55 0.38 0.6 0.75 0.43
N170 120 0.78 0.62 0.67 0.94 0.63
N170 15 0.58 0.67 0.33 0.8 0.6
N191 120 0.8 0.67 0.75 0.96 0.68
N191 15 0.75 0.83 0.33 0.83 0.73
N307 15 0.78 0.75 0.33 0.82 0.67