OPERA Models: Boiling Point

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Acetamide, N-(4-chloro-2-(2-chlorobenzoyl)phenyl)-N-methyl-2-(2-pyrimidinylthio)-
128433-37-4 | DTXSID90155896

Model Results

Predicted value: 399 °C

Global applicability domain:  Outside

Local applicability domain index: 0.12

Confidence level: 0.5

Model Performance

QMRF

Weighted KNN model

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

Nearest Neighbors from the Training Set

beta,beta'-Dinaphthylamine

Measured: 471

Predicted: 463

Carfentrazone-ethyl

Measured: 353

Predicted: 352

Auramine

Measured: 331

Predicted: 335

Acridine, 9-phenyl-

Measured: 404

Predicted: 405

Dehydrothio-4-toluidine

Measured: 434

Predicted: 418