OPERA Models: Melting Point

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

Model Results

Predicted value: 130 °C

Global applicability domain:  Inside

Local applicability domain index: 0.44

Confidence level: 0.69

Model Performance

QMRF

Weighted KNN model

5-fold CV (75%) Training (75%) Test (25%)
Q2 RMSE R2 RMSE R2 RMSE
0.72 51.8 0.74 50.3 0.73 52.7

Nearest Neighbors from the Training Set

Tranid

Measured: 144

Predicted: 147

Pyrazinamide

Measured: 192

Predicted: 189