OPERA Models: Atmos. Hydroxylation Rate

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Pyridinium dicyanomethylide
27032-01-5 | DTXSID50181515

Model Results

Predicted value: 9.49e-12 cm3/molecule*sec

Global applicability domain:  Outside

Local applicability domain index: 0.24

Confidence level: 0.75

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

3-Furaldehyde

Measured: 4.85e-11

Predicted: 4.46e-11

Dimethyl adipate

Measured: 8.40e-12

Predicted: 6.84e-12

Dimethyl glutarate

Measured: 3.30e-12

Predicted: 3.76e-12

Dimethyl succinate

Measured: 1.40e-12

Predicted: 1.93e-12

Furfural

Measured: 3.51e-11

Predicted: 3.52e-11