OPERA Models: Melting Point

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Acetamide, N-(4-chloro-2-(2-chlorobenzoyl)phenyl)-N-methyl-2-(2-pyrimidinylthio)-
128433-37-4 | DTXSID90155896

Model Results

Predicted value: 121 °C

Global applicability domain:  Inside

Local applicability domain index: 0.37

Confidence level: 0.49

Model Performance

Scatterplot Histogram
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

Azoxystrobin

Measured: 116

Predicted: 115

Propaquizafop

Measured: 66.3

Predicted: 77.1

Sulfinpyrazone

Measured: 137

Predicted: 136

Quizalofop-P-tefuryl

Measured: 64.0

Predicted: 84.0

1,3,5-Triazine, 2,4,6-triphenoxy-

Measured: 234

Predicted: 224