OPERA Models: Bioconcentration Factor

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Urea, N-(2,6-dimethylphenyl)-N'-(imino((2-methoxyethyl)amino)methyl)-, monohydrochloride
68656-87-1 | DTXSID00218784

Model Results

Predicted value: 6.50

Global applicability domain:  Inside

Local applicability domain index: 0.38

Confidence level: 0.55

Model Performance

QMRF

Weighted KNN model

5-fold CV (75%) Training (75%) Test (25%)
Q2 RMSE R2 RMSE R2 RMSE
0.84 0.55 0.85 0.53 0.83 0.64

Nearest Neighbors from the Training Set

Phosmet

Measured: 1.82

Predicted: 3.12

Cycloheximide

Measured: 2.82

Predicted: 2.70

Carbendazim

Measured: 2.51

Predicted: 2.41

Iprodione

Measured: 339

Predicted: 150

Methidathion

Measured: 5.50

Predicted: 5.34