Last data update: 2014.03.03
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R: Leave One Out
Leave One Out
Description
Calculate the robustness of the equation using the leave one out method.
Usage
LOO(mydata, n)
Arguments
mydata |
Dataframe containing names and values of response and descriptors
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n |
Numbers of selected descriptors of the regression (determined using Select_MLR)
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Value
return Q2, the coefficient that measure the robstness
References
1. Gramatica, P. Principles of QSAR Models Validation: Internal and External. Qsar & Combinatorial Science 2007, 26, 694-701.
2. Golbraikh, A.; Tropsha, A. Beware of Q(2)! Journal of Molecular Graphics & Modelling 2002, 20, 269-276.
Examples
# First run Select_MLR to define n
# LOO(mydata,dim(MLR)[2])
Results
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