OPERA Models: Soil Adsorp. Coeff.

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2,2,2-Tribromoethyl chloroformate
17182-43-3 | DTXSID90169170

Model Results

Predicted value: 139 L/kg

Global applicability domain:  Inside

Local applicability domain index: 0.33

Confidence level: 0.69

Model Performance

QMRF

Weighted KNN model

5-fold CV (75%) Training (75%) Test (25%)
Q2 RMSE R2 RMSE R2 RMSE
0.81 0.55 0.81 0.54 0.71 0.61

Nearest Neighbors from the Training Set

Tetrachloroethylene

Measured: 251

Predicted: 170

1,2-Dibromoethylene

Measured: 44.7

Predicted: 57.8

Dimethylarsinic acid

Measured: 1000

Predicted: 0.00

Carbon tetrachloride

Measured: 70.8

Predicted: 69.4

Bromodichloromethane

Measured: 60.3

Predicted: 66.7