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. Author manuscript; available in PMC: 2018 Apr 17.
Published in final edited form as: Chem Res Toxicol. 2017 Mar 15;30(4):1017–1029. doi: 10.1021/acs.chemrestox.7b00025

Table 1.

Comparison of Different Predictive Metrics for the First Published Chen et al. Data Set9

Criteria % Correct (Positive Predictive Value, PPV) % DILI Missing (False Negative Rate, FNR) % Accuracy (ACC) (True Positive + True Negative)/151
Rule of Two 95.3% 61.7% 55.0%

BDDCS Class 2 90.2% 48.6% 61.6%
BDDCS Class 2 + Dose ≥ 50mg 94.1% 55.1% 58.9%
BDDCS Class 2+ Dose ≥ 100 mg 93.8% 57.9% 57.0%

Dose ≥ 50mg 83.5% 15.0% 77.5%
Dose ≥ 100mg 85.6% 22.4% 74.8%

BDDCS Class (1 + 2) 74.8% 16.8% 68.2%
BDDCS Class (1 + 2) + Dose ≥ 50mg 87.4% 29.0% 72.2%
BDDCS Class (1 + 2) + Dose ≥ 100mg 90.8% 35.5% 70.2%

BDDCS Class (2 + 4) 89.4% 44.9% 63.6%
BDDCS Class (2 + 4) + Dose ≥ 50mg 92.9% 51.4% 60.9%
BDDCS Class (2 + 4) + Dose ≥ 100mg 92.5% 54.2% 58.9%

CLogP ≥ 3 76.1% 52.3% 52.3%
CLogP ≥ 3 +Dose ≥50mg 91.7% 58.9% 55.6%

BDDCS Class 1 58.6% 68.2% 35.8%
BDDCS Class 3 51.9% 86.9% 29.8%
BDDCS Class 4 80.0% 96.3% 31.1%