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Table 3 Q2 and P2 values for alpha data. set The mean and standard deviations for the values of Q2 and P2 obtained for the alpha data set using the variable selection method PLSfilter and the regression methods PLS and RR.

From: Unbiased descriptor and parameter selection confirms the potential of proteochemometric modelling

Filter

Regression

P2 (mean ± std)

mean Q2 (mean ± std)

no filter

PLS

0.55 ± 0.045

0.50 ± 0.066

no filter

RR

0.65 ± 0.037

0.59 ± 0.027

PLSfilter

PLS

0.77 ± 0.033

0.83 ± 0.0095

PLSfilter

RR

0.76 ± 0.043

0.83 ± 0.010