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Table 4 Result table for AID1194 taken as validation set for the models generated on different sets i.e. Set 1, Set 2 and Set 3

From: In-silico predictive mutagenicity model generation using supervised learning approaches

Classifiers

Data set

Accuracy%

Precision %

Recall%

ROC

Naïve Bayes

Set 1

55.76

54.3

42.78

57.50%

 

Set 2

55.88

54.6

42.27

58.00%

 

Set 3

61.05

63.2

61.1

66.8%

Random Forest

Set 1

84.85

86.3

81

93.1%

 

Set 2

87.86

87.7

86.58

94.30%

 

Set 3

90.14

90.1

90.1

96.8%

J48

Set 1

80.88

79.0

80.50

84.20%

 

Set 2

84.37

85.7

80.50

86.20%

 

Set 3

87.01

87

87

88.7%

SMO

Set 1

62.01

62.6

49.62

67.60%

 

Set 2

69.23

71.8

57.97

68.70%

 

Set 3

56.12

57

56.1

61.2%

  1. It was found that AID1194 classified better on Set 3 with above 90% accuracy.