OPERA Models: Vapor Pressure

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

Model Results

Predicted value: 3.05e-02 mmHg

Global applicability domain:  Inside

Local applicability domain index: 0.45

Confidence level: 0.76

Model Performance

QMRF

Weighted KNN model

5-fold CV (75%) Training (75%) Test (25%)
Q2 RMSE R2 RMSE R2 RMSE
0.91 1.08 0.91 1.08 0.92 1.00

Nearest Neighbors from the Training Set

2,3,6-Trimethylphenol

Measured: 3.47e-02

Predicted: 3.15e-02

3-Phenyl-2-propen-1-ol

Measured: 2.40e-02

Predicted: 2.75e-02

2-tert-Butylphenol

Measured: 9.00e-02

Predicted: 5.73e-02

3-Phenyl-1-propanol

Measured: 1.99e-02

Predicted: 2.89e-02

2,4,6-Trimethylphenol

Measured: 1.74e-02

Predicted: 1.37e-02