OPERA Models: LogP: Octanol-Water

Save PDF

Pyridinium dicyanomethylide
27032-01-5 | DTXSID50181515

Model Results

Predicted value: 6.49e-01

Global applicability domain:  Inside

Local applicability domain index: 0.5

Confidence level: 0.72

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

2-Quinoxalinecarboxamide

Measured: 0.98

Predicted: 1.06

3,5-Diazaindole

Measured: 0.18

Predicted: 1.18e-01

IMIDAZOLE,1-M-CARBOXAMIDOBENZYL

Measured: -0.0100

Predicted: 2.06e-01

2-(5-Methyl-1,2,4-oxadiazol-3-yl)pyridine

Measured: 0.79

Predicted: 7.48e-01

Quinoxaline, 5-amino-

Measured: 1.29

Predicted: 1.26