OPERA Models: Melting Point

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Pyridinium dicyanomethylide
27032-01-5 | DTXSID50181515

Model Results

Predicted value: 125 °C

Global applicability domain:  Inside

Local applicability domain index: 0.43

Confidence level: 0.64

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

2-Amino-4,6-dihydroxypyrimidine

Measured: 152

Predicted: 160

Kyanmethin

Measured: 183

Predicted: 173

Pyrimidine, 2-amino-4-methyl-

Measured: 160

Predicted: 164

Benzoyl azide

Measured: 32.0

Predicted: 34.0

5-Methyl-1H-benzotriazole

Measured: 81.0

Predicted: 97.0