OPERA Models: Soil Adsorp. Coeff.

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1-Octacosanol
557-61-9 | DTXSID1025803

Model Results

Predicted value: 10200 L/kg

Global applicability domain:  Outside

Local applicability domain index: 0.15

Confidence level: 0.58

Model Performance

QMRF

Weighted KNN model

5-fold CV (75%) Training (75%) Test (25%)
Q2 RMSE R2 RMSE R2 RMSE
0.81 0.55 0.81 0.54 0.71 0.61

Nearest Neighbors from the Training Set

4-Nonylphenyl diphenyl phosphate

Measured: 11500

Predicted: 17000

Di-n-octyl phthalate

Measured: 24000

Predicted: 18500

Bis(2-ethylhexyl)hexanedioate

Measured: 15500

Predicted: 14400

Bis(6-methylheptyl) phthalate

Measured: 1620

Predicted: 3980

Bis(2-ethylhexyl) terephthalate

Measured: 14500

Predicted: 12800