OPERA Models: Water Solubility

Save PDF

Acetamide, N-(4-chloro-2-(2-chlorobenzoyl)phenyl)-N-methyl-2-(2-pyrimidinylthio)-
128433-37-4 | DTXSID90155896

Model Results

Predicted value: 1.36e-05 mol/L

Global applicability domain:  Inside

Local applicability domain index: 0.45

Confidence level: 0.45

Model Performance

QMRF

Weighted KNN model

5-fold CV (75%) Training (75%) Test (25%)
Q2 RMSE R2 RMSE R2 RMSE
0.87 0.81 0.87 0.82 0.86 0.86

Nearest Neighbors from the Training Set

Imibenconazole

Measured: 4.13e-06

Predicted: 4.76e-06

Fluquinconazole

Measured: 2.66e-06

Predicted: 3.19e-06

Pyrazoxyfen

Measured: 2.23e-03

Predicted: 5.41e-04

Thiopropazate

Measured: 2.00e-05

Predicted: 2.31e-05