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Table 3 Result table for AID1189 taken as test set for the models prepared by 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

49.08

53.3

36.80

50.30%

 

Set 2

49.28

53.7

36.29

50.60%

 

Set 3

49.01

51.5

49

55.5%

Random Forest

Set 1

64.65

66.4

64.7

67.3%

 

Set 2

61.61

66.6

56.21

64.50%

 

Set 3

62.89

64

62.9

65.60%

J48

Set 1

63.16

68.6

57.10

64.60%

 

Set 2

60.39

66

53.04

62.50%

 

Set 3

61.27

62.1

62.3

60.8%

SMO

Set 1

50.57

55.3

38.57

55.90%

 

Set 2

57.14

63.2

46.95

57.90%

 

Set 3

56.12

57

56.1

61.2%

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