OPERA Models: LogKoa: Octanol-Air

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Iodine, bis(acetato-O)(3-methylphenyl)- (9CI)
19169-97-2 | DTXSID10172702

Model Results

Predicted value: 7.38

Global applicability domain:  Inside

Local applicability domain index: 0.98

Confidence level: 0.82

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

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

1,4,6-Trichloronaphthalene

Measured: 7.27

Predicted: 7.45

1,3,5-Trichloronaphthalene

Measured: 7.32

Predicted: 7.45