OPERA Models: Boiling Point

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

Model Results

Predicted value: 333 °C

Global applicability domain:  Inside

Local applicability domain index: 0.24

Confidence level: 0.56

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

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