OPERA Models: Atmos. Hydroxylation Rate

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Decarbamylsaxitoxin
58911-04-9 | DTXSID70207660

Model Results

Predicted value: 1.77e-11 cm3/molecule*sec

Global applicability domain:  Outside

Local applicability domain index: 0.21

Confidence level: 0.78

Model Performance

QMRF

Weighted KNN model

5-fold CV (75%) Training (75%) Test (25%)
Q2 RMSE R2 RMSE R2 RMSE
0.85 1.14 0.85 1.12 0.83 1.23

Nearest Neighbors from the Training Set

Isoproturon

Measured: 1.20e-11

Predicted: 1.27e-11

Terbutylazine

Measured: 1.10e-11

Predicted: 1.26e-11

Cycloate

Measured: 3.54e-11

Predicted: 2.98e-11

Bornyl acetate

Measured: 1.39e-11

Predicted: 1.36e-11

EPTC

Measured: 3.18e-11

Predicted: 2.83e-11