OPERA Models: Boiling Point

Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(3-(4-(2-pyridinyl)-1-piperazinyl)propyl)-, 1,1-dioxide
145787-27-5 | DTXSID90163158

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Model Results

Predicted value: 331 °C

Global applicability domain: Outside

Local applicability domain index: 0.11

Confidence level: 0.66

Model Performance

Scatterplot
Histogram
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

  • Carfentrazone-ethyl

    Measured: 353
    Predicted: 352
  • Ametryn

    Measured: 345
    Predicted: 344
  • Desmetryn

    Measured: 345
    Predicted: 343
  • Auramine

    Measured: 331
    Predicted: 335
  • 2,7,8,9-Tricyclazole

    Measured: 275
    Predicted: 281