OPERA Models: LogKoa: Octanol-Air

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

Model Results

Predicted value: 5.80

Global applicability domain:  Inside

Local applicability domain index: 0.96

Confidence level: 0.68

Model Performance

QMRF

Weighted KNN model

5-fold CV (75%) Training (75%) Test (25%)
Q2 RMSE R2 RMSE R2 RMSE
0.95 0.69 0.95 0.65 0.96 0.68

Nearest Neighbors from the Training Set

Hexamethylbenzene

Measured: 6.31

Predicted: 5.75

1,2,3,4-Tetrachlorobenzene

Measured: 5.64

Predicted: 5.76

1,2,3,5-Tetrachlorobenzene

Measured: 5.55

Predicted: 5.67

1,2,4,5-Tetrachlorobenzene

Measured: 5.63

Predicted: 5.67

1,4-Dibromobenzene

Measured: 5.21

Predicted: 5.09