OPERA Models: Henry's Law

Urea, N-(2,6-dimethylphenyl)-N'-(imino((2-methoxyethyl)amino)methyl)-, monohydrochloride
68656-87-1 | DTXSID00218784

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Model Results

Predicted value: 3.21e-10 atm-m3/mole

Global applicability domain: Outside

Local applicability domain index: 0.17

Confidence level: 0.36

Model Performance

Scatterplot
Histogram
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

  • Oxalic acid

    Measured: 1.43e-10
    Predicted: 2.54e-10
  • Tebuthiuron

    Measured: 1.20e-10
    Predicted: 1.38e-10
  • Pencycuron

    Measured: 4.93e-12
    Predicted: 8.53e-12
  • Iprodione

    Measured: 3.12e-09
    Predicted: 3.40e-09
  • Glycerol

    Measured: 1.73e-08
    Predicted: 1.57e-08