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Table 2 Performance evaluation of ML models on the test dataset

From: Prospective virtual screening combined with bio-molecular simulation enabled identification of new inhibitors for the KRAS drug target

ML model

Accuracy

Sensitivity

Specificity

MCC

Precision

Recall

KNN

96%

0.87

0.98

0.87

0.86

0.89

SVM

94%

0.85

0.96

0.81

0.81

0.86

RF

98%

0.95

0.99

0.97

0.93

0.95

GNB

89%

0.85

0.90

0.68

0.80

0.93

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BMC Chemistry

ISSN: 2661-801X

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