OPERA Models: Boiling Point

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1,3,4-Oxadiazol-2-ol, 5-(4-pyridinyl)-
2845-82-1 | DTXSID10182649

Model Results

Predicted value: 292 °C

Global applicability domain:  Outside

Local applicability domain index: 0.2

Confidence level: 0.76

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

2-Nitrobenzamide

Measured: 317

Predicted: 314

3-Nitrobenzamide

Measured: 313

Predicted: 313

Acetamide, N-3-pyridinyl- (9CI)

Measured: 327

Predicted: 322

1,3-Dipropylurea

Measured: 255

Predicted: 256

1-Phenylurea

Measured: 238

Predicted: 241