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Table 1 Statistical performance of models using 8 MDL descriptors (Model A) and 12 Dragon descriptors (Model B).

From: New public QSAR model for carcinogenicity

 

Model A (8 MDL descriptors)

Model B (12 Dragon descriptors)

Internal validation

Training (644 compounds)

Test (161 compounds)

Training (644 compounds)

Test (161 compounds)

Accuracy, %

91

73

89

69

Sensitivity, %

96

75

90

75

Specificity, %

86

69

87

61