OPERA Models: Boiling Point

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

Model Results

Predicted value: 330 °C

Global applicability domain:  Outside

Local applicability domain index: 0.25

Confidence level: 0.59

Model Performance

QMRF

Weighted KNN model

5-fold CV (75%) Training (75%) Test (25%)
Q2 RMSE R2 RMSE R2 RMSE
0.93 22.5 0.93 22.1 0.93 22.1

Nearest Neighbors from the Training Set

Diphenylchlorarsine

Measured: 337

Predicted: 0.00

Dichlorophenylarsine

Measured: 255

Predicted: 0.00

Oxychlordane

Measured: 353

Predicted: 346

Dieldrin

Measured: 330

Predicted: 330

3,4,5,6-Tetrabromo-o-xylene

Measured: 375

Predicted: 362