OPERA Models: Melting Point

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

Model Results

Predicted value: 7.50 °C

Global applicability domain:  Inside

Local applicability domain index: 0.43

Confidence level: 0.5

Model Performance

QMRF

Weighted KNN model

5-fold CV (75%) Training (75%) Test (25%)
Q2 RMSE R2 RMSE R2 RMSE
0.72 51.8 0.74 50.3 0.73 52.7

Nearest Neighbors from the Training Set

Acetic acid, 2,2,2-trichloro-, methyl ester

Measured: -17.5

Predicted: -13.8

Methyl chlorosulphate

Measured: -70.0

Predicted: -53.3

Butanedioyl dichloride

Measured: 20.0

Predicted: 26.8

1,1,1,3-Tetrachloropropanone

Measured: 65.0

Predicted: 39.6