OPERA Models: Biodeg. Half-Life

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1H-1,2,4-Triazole, 1-(2-diethylaminoethyl)-
51444-28-1 | DTXSID20199420

Model Results

Predicted value: 4.55 days

Global applicability domain:  Outside

Local applicability domain index: 0.21

Confidence level: 0.8

Model Performance

QMRF

Weighted KNN model

5-fold CV (75%) Training (75%) Test (25%)
Q2 RMSE R2 RMSE R2 RMSE
0.89 0.25 0.88 0.26 0.75 0.38

Nearest Neighbors from the Training Set

2,4-Dimethylheptane

Measured: 6.00

Predicted: 4.33

2,5-Dimethyloctane

Measured: 2.00

Predicted: 3.48

3-Methylhexane

Measured: 9.00

Predicted: 6.78

Heptane, 3-methyl-

Measured: 3.00

Predicted: 3.49