OPERA Models: LogKoa: Octanol-Air

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Desmethylprodine
13147-09-6 | DTXSID80157061

Model Results

Predicted value: 7.79

Global applicability domain:  Inside

Local applicability domain index: 0.94

Confidence level: 0.84

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

1,2,3,4-Tetrachloronaphthalene

Measured: 8.30

Predicted: 8.41

4,4'-Dichlorobiphenyl

Measured: 7.68

Predicted: 7.38

2,2'-Dichlorobiphenyl

Measured: 7.18

Predicted: 7.38

2,4'-Dichlorobiphenyl

Measured: 7.40

Predicted: 7.38

2,3-Dichlorodibenzo-4-dioxin

Measured: 8.50

Predicted: 8.49