. 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 3.

Leave out 50% × 100 cross validation analysis of Bayesian models of an expert's evaluation of the NIH chemical probes.

Dataset size	External ROC Score	Internal ROC Score	Concordance	Specificity	Sensitivity
N57	0.63 ± 0.08	0.65 ± 0.14	54.30 ± 10.03	62.04 ± 29.46	51.40 ± 21.98
N170	0.59 ± 0.05	0.69 ± 0.07	53.54 ± 7.62	59.30 ± 19.65	51.31 ± 17.48
N191	0.60 ± 0.05	0.69 ± 0.07	55.06 ± 8.00	57.83 ± 17.81	54.10 ± 16.98
N307	0.69 ± 0.04	0.75 ±0.05	64.57 ± 8.06	61.89 ± 14.83	65.25 ± 13.02

ROC = receiver operator characteristic.