OPERA Models: Boiling Point

Tromantadine [INN:DCF]
53783-83-8 | DTXSID00202062

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Model Results

Predicted value: 333 °C

Global applicability domain: Inside

Local applicability domain index: 0.24

Confidence level: 0.56

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

  • Sparteine

    Measured: 325
    Predicted: 318
  • Imazalil

    Measured: 347
    Predicted: 346
  • S-Metolachlor

    Measured: 282
    Predicted: 287
  • 4,4'-Methylenebis(N,N-dimethylaniline)

    Measured: 390
    Predicted: 375
  • Dimethachlor

    Measured: 320
    Predicted: 314