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Table 2 The statistical parameters of MLR model

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

0.964

0.16

0.247

6

  1. *root mean squared error of prediction, **root mean squared error of prediction