OPERA Models: Henry's Law

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Prolyl histamine hydrochloride
179308-53-3 | DTXSID20170794

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

QMRF

Weighted KNN model

5-fold CV (75%) Training (75%) Test (25%)
Q2 RMSE R2 RMSE R2 RMSE
0.84 1.96 0.84 1.91 0.85 1.82

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-3-methylphenol

Measured: 1.61e-08

Predicted: 5.07e-09