DEMOVA (version 1.0)

LMO: Leave Many Out

Description

Calculate the robustness of the equation using the leave many out method.

Usage

LMO(mydata, cv, n)

Arguments

mydata

Dataframe containing names and values of response and descriptors

cv

Numbers of fold

n

Numbers of selected descriptors of the regression (determined using Select_MLR)

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

#LMO(mydata,5,dim(MLR)[2])
#LMO(mydata,10,dim(MLR)[2])