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Table 6 Comparison of classification accuracies of best WEKA classifiers with MILP based hyper-boxes classification on P450 C17 inhibitors.

From: Classification of drug molecules considering their IC50 values using mixed-integer linear programming based hyper-boxes method

 

% accuracy

Cytochrome P450 C17

7-attribute

10-attribute

15-attribute

MILP based hyper-boxes method

100.00

100.00

100.00

Bayes Network

81.25

81.25

81.25

Naive Bayes

62.50

71.88

53.13

Naive Bayes Simple

62.50

68.75

50.00

Naive Bayes Updatable

62.50

71.88

53.13

Lojistic

71.88

56.25

62.50

Multilayer Perceptron

62.50

71.88

59.38

SimpleLogistic

75.00

75.00

81.25

SMO

81.25

81.25

81.25

IB1

59.38

59.38

81.25

IBk

59.38

59.38

62.50

Logit Boost

71.88

62.50

62.50

Multi Class Classifier

71.88

56.25

62.50

Threshold Selector

43.75

40.63

62.50

LMT

75.00

75.00

81.25

RandomForest

75.00

68.75

65.63

OneR

75.00

71.88

75.00