OPERA Models: LogP: Octanol-Water

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1-Octacosanol
557-61-9 | DTXSID1025803

Model Results

Predicted value: 8.16

Global applicability domain:  Outside

Local applicability domain index: 0.27

Confidence level: 0.44

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

Methyl behenate

Measured: 10.2

Predicted: 9.83

Methyl (Z)-docos-13-enoate

Measured: 9.32

Predicted: 9.32

Methyl arachidate

Measured: 9.30

Predicted: 9.19

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

Measured: 3.90

Predicted: 3.60