OPERA Models: LogKoa: Octanol-Air

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

Model Results

Predicted value: 11.7

Global applicability domain:  Outside

Local applicability domain index: 0.44

Confidence level: 0.62

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

Octachlorodibenzofuran

Measured: 11.9

Predicted: 11.7

Octachlorodibenzo-p-dioxin

Measured: 12.1

Predicted: 11.6

2,2',4,4',5-Pentabromodiphenyl ether

Measured: 11.3

Predicted: 11.5

1,2,3,4,7,8,9-Heptachlorodibenzofuran

Measured: 11.4

Predicted: 10.9