OPERA Models: Atmos. Hydroxylation Rate

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Acetamide, N-(4-chloro-2-(2-chlorobenzoyl)phenyl)-N-methyl-2-(2-pyrimidinylthio)-
128433-37-4 | DTXSID90155896

Model Results

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

Global applicability domain:  Outside

Local applicability domain index: 0.13

Confidence level: 0.85

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

Bornyl acetate

Measured: 1.39e-11

Predicted: 1.36e-11

Dimethyl adipate

Measured: 8.40e-12

Predicted: 6.84e-12

2-Ethoxyethyl methacrylate

Measured: 2.80e-11

Predicted: 2.95e-11

Cyclopropaneacetaldehyde, 2,2-dimethyl-3-(2-oxopropyl)-

Measured: 4.80e-11

Predicted: 4.73e-11