OPERA Models: Henry's Law

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2,6-Dibromo-3,4-xylenol
22802-40-0 | DTXSID90177356

Model Results

Predicted value: 2.14e-07 atm-m3/mole

Global applicability domain:  Inside

Local applicability domain index: 0.43

Confidence level: 0.47

Model Performance

QMRF

Weighted KNN model

5-fold CV (75%) Training (75%) Test (25%)
Q2 RMSE R2 RMSE R2 RMSE
0.84 1.96 0.84 1.91 0.85 1.82

Nearest Neighbors from the Training Set

Pentachlorophenol

Measured: 2.45e-08

Predicted: 4.35e-08

4-Bromophenol

Measured: 1.51e-07

Predicted: 1.58e-07

2-Chlorophenol

Measured: 1.12e-05

Predicted: 3.79e-06

4-tert-Butylphenol

Measured: 1.19e-06

Predicted: 7.58e-07

1-Naphthol

Measured: 6.00e-08

Predicted: 6.50e-08