OPERA Models: LogP: Octanol-Water

Save PDF

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

Model Results

Predicted value: 2.17

Global applicability domain:  Inside

Local applicability domain index: 0.47

Confidence level: 0.64

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

Me-Phosphoramidate,O-Me,O-4-MeSPh

Measured: 1.81

Predicted: 1.85

N-(4-Bromobutyl)phthalimide

Measured: 2.96

Predicted: 2.92

Phosphonic acid, [(4-chlorophenyl)methyl]-, mono

Measured: 1.60

Predicted: 1.78

Phosphonic acid, [(4-fluorophenyl)methyl]-, mono

Measured: 1.25

Predicted: 1.51

Phosphorothioic acid, O,O-diethyl S-(phenylmethyl) ester

Measured: 3.21

Predicted: 3.04