OPERA Models: Bioconcentration Factor

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Perfluoro-2,7-dimethyloctane
3021-63-4 | DTXSID00184314

Model Results

Predicted value: 5290

Global applicability domain:  Outside

Local applicability domain index: 0.2

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

1,1'-Isopropylidenebis(4-(1,1,2,2-tetrafluoroethoxy)benzene)

Measured: 22400

Predicted: 15100

2,2,4,4,6,8,8-Heptamethylnonane

Measured: 6610

Predicted: 6260

2,2,4,6,6-Pentamethylheptane

Measured: 871

Predicted: 922

1,3,5-Tri-tert-butylbenzene

Measured: 22900

Predicted: 17800

Hexabromobenzene

Measured: 1000

Predicted: 1350