OPERA Models: Henry's Law

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Phenol, 4-(2-(4-(2-chlorophenyl)-1-piperazinyl)ethoxy)-2-methyl-5-(1-methylethyl)-, monohydrochloride
103840-42-2 | DTXSID20146095

Model Results

Predicted value: 2.47e-07 atm-m3/mole

Global applicability domain:  Outside

Local applicability domain index: 0.24

Confidence level: 0.31

Model Performance

QMRF

Weighted KNN model

5-fold CV (75%) Training (75%) Test (25%)
Q2 Q2 R2 R2 R2 R2
0.84 0.89 0.84 0.88 0.85 0.75

Nearest Neighbors from the Training Set

2-Ethylhexyl diphenyl phosphate

Measured: 5.42e-05

Predicted: 3.44e-05

Pencycuron

Measured: 4.93e-12

Predicted: 8.53e-12

4-Nonylphenyl diphenyl phosphate

Measured: 1.40e-08

Predicted: 2.42e-08

Amitraz

Measured: 9.87e-06

Predicted: 5.11e-06

Tri-m-tolyl phosphate

Measured: 8.30e-05

Predicted: 5.58e-05