From: A quantitative structure- property relationship of gas chromatographic/mass spectrometric retention data of 85 volatile organic compounds as air pollutant materials by multivariate methods
Variable selection method
Calibration method
R2 Calibration
R2 Prediction
R2 L-10-Out
R2 L-5-Out
R2 LOO
RMSEC*
RMSEP**
No. DSs
stepwise
MLR
0.972
0.957
0.962
0.964
0.16
0.247
6