OPERA Models: LogP: Octanol-Water

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Benzylimidobis(p-methoxyphenyl)methane
524-96-9 | DTXSID50200417

Model Results

Predicted value: 4.11

Global applicability domain:  Inside

Local applicability domain index: 0.49

Confidence level: 0.7

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

Benflurone

Measured: 4.32

Predicted: 4.07

2,3-Di(4-MeO-phenyl)-5,6-diMe-pyrazine

Measured: 4.10

Predicted: 4.17

2,3-Di(4-methoxyphenyl)-5-Me-pyrazine

Measured: 3.66

Predicted: 3.82

CP-99,994, 5-(3-FURYL) ANALOG

Measured: 4.20

Predicted: 4.23

2,3-Di(4-methoxyphenyl)-5-Et-pyrazine

Measured: 4.22

Predicted: 4.22