OPERA Models: Henry's Law

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Anatoxin a
64285-06-9 | DTXSID50867064

Model Results

Predicted value: 1.18e-08 atm-m3/mole

Global applicability domain:  Inside

Local applicability domain index: 0.36

Confidence level: 0.43

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

Pyruvic acid

Measured: 3.23e-09

Predicted: 6.65e-09

Methacrylic acid

Measured: 3.88e-07

Predicted: 3.20e-07

Benzamide

Measured: 2.45e-10

Predicted: 5.95e-10

Methiocarb

Measured: 1.18e-09

Predicted: 1.37e-09

Hexanoic acid

Measured: 7.58e-07

Predicted: 7.77e-07