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Table 3 Validation results for different multivariate methods incorporated in the GUI

From: A novel R-package graphic user interface for the analysis of metabonomic profiles

Multivariate Method

Tobacco predictive value

Healthy predictive value

Sensitivity

Specificity

LDA

86%

100%

100%

83%

PLS (Ding and Gentleman)

100%

100%

100%

100%

PLS (Kernel)

100%

100%

100%

100%

Single hidden layer neural network

86%

100%

100%

83%

Feedforward neural network

86%

100%

100%

83%