OPERA Models: Boiling Point

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2,2,2-Tribromoethyl chloroformate
17182-43-3 | DTXSID90169170

Model Results

Predicted value: 233 °C

Global applicability domain:  Inside

Local applicability domain index: 0.48

Confidence level: 0.64

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

Hexachloroacetone

Measured: 203

Predicted: 206

1,1,1,2,2,3,3-Heptachloropropane

Measured: 248

Predicted: 243