OPERA Models: Henry's Law

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Iodine, bis(acetato-O)(3-methylphenyl)- (9CI)
19169-97-2 | DTXSID10172702

Model Results

Predicted value: 1.99e-08 atm-m3/mole

Global applicability domain:  Inside

Local applicability domain index: 0.28

Confidence level: 0.5

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

Fosthiazate

Measured: 1.74e-10

Predicted: 2.83e-10

Dimethenamid

Measured: 8.20e-08

Predicted: 2.51e-08

Alachlor

Measured: 8.32e-09

Predicted: 9.92e-09

Dieldrin

Measured: 8.18e-06

Predicted: 1.30e-05

Endrin

Measured: 8.18e-06

Predicted: 1.30e-05

Metolachlor

Measured: 9.00e-09

Predicted: 9.89e-09