OPERA Models: LogP: Octanol-Water

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

Model Results

Predicted value: 7.19

Global applicability domain:  Outside

Local applicability domain index: 0.3

Confidence level: 0.36

Model Performance

QMRF

Weighted KNN model

5-fold CV (75%) Training (75%) Test (25%)
Q2 RMSE R2 RMSE R2 RMSE
0.85 0.69 0.86 0.67 0.86 0.78

Nearest Neighbors from the Training Set

8:2 Fluorotelomer alcohol

Measured: 5.58

Predicted: 5.31

Methyl behenate

Measured: 10.2

Predicted: 9.83

1-Hexadecyl-2,4-dimethylpyridin-1-ium iodide

Measured: 3.90

Predicted: 3.60

Methyl (Z)-docos-13-enoate

Measured: 9.32

Predicted: 9.32