OPERA Models: Vapor Pressure

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Anatoxin a
64285-06-9 | DTXSID50867064

Model Results

Predicted value: 1.05e-03 mmHg

Global applicability domain:  Inside

Local applicability domain index: 0.47

Confidence level: 0.51

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-Phenylcyclohexanol

Measured: 3.67e-02

Predicted: 1.34e-02

Phenylpiperazine

Measured: 5.45e-03

Predicted: 6.66e-03

2-tert-Butyl-4-ethylphenol

Measured: 1.80e-02

Predicted: 1.47e-02

Isoproturon

Measured: 2.47e-08

Predicted: 4.79e-08

3-Methylindole

Measured: 5.54e-03

Predicted: 5.62e-03