OPERA Models: Henry's Law

Prolyl histamine hydrochloride
179308-53-3 | DTXSID20170794

Image not found

Model Results

Predicted value: 1.39e-09 atm-m3/mole

Global applicability domain: Outside

Local applicability domain index: 0.17

Confidence level: 0.37

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

  • Ancymidol

    Measured: 1.56e-11
    Predicted: 4.55e-11
  • 2-(2-Butoxyethoxy)ethanol

    Measured: 7.20e-09
    Predicted: 5.87e-09
  • 2-Chloro-4-nitroaniline

    Measured: 9.54e-09
    Predicted: 4.92e-09
  • p-Hydroxybenzaldehyde

    Measured: 5.11e-10
    Predicted: 7.73e-10
  • 4-Nitro-m-cresol

    Measured: 1.61e-08
    Predicted: 5.07e-09