OPERA Models: Vapor Pressure

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1H-1,2,4-Triazole, 1-(2-diethylaminoethyl)-
51444-28-1 | DTXSID20199420

Model Results

Predicted value: 6.97e-02 mmHg

Global applicability domain:  Inside

Local applicability domain index: 0.46

Confidence level: 0.54

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

Nitrobenzene

Measured: 2.45e-01

Predicted: 1.61e-01

2,4(1H,3H)-Pyrimidinedione, 1,3-dimethyl-

Measured: 5.52e-03

Predicted: 1.18e-02

2-Nitrotoluene

Measured: 1.88e-01

Predicted: 1.33e-01

1,2-Dimethyl-3-nitrobenzene

Measured: 3.59e-01

Predicted: 1.27e-01

1-Chloro-2-nitrobenzene

Measured: 1.82e-02

Predicted: 4.06e-02