OPERA Models: LogKoa: Octanol-Air

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Anatoxin a
64285-06-9 | DTXSID50867064

Model Results

Predicted value: 7.76

Global applicability domain:  Inside

Local applicability domain index: 0.72

Confidence level: 0.35

Model Performance

QMRF

Weighted KNN model

5-fold CV (75%) Training (75%) Test (25%)
Q2 RMSE R2 RMSE R2 RMSE
0.95 0.69 0.95 0.65 0.96 0.68

Nearest Neighbors from the Training Set

Methylparaben

Measured: 8.57

Predicted: 7.06

Phenacetin

Measured: 9.59

Predicted: 9.23

1-Octanol

Measured: 6.03

Predicted: 5.95

Diphenylamine

Measured: 7.64

Predicted: 8.73

Cyclohexanol

Measured: 5.18

Predicted: 4.72