OPERA Models: Soil Adsorp. Coeff.

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Pyridinium dicyanomethylide
27032-01-5 | DTXSID50181515

Model Results

Predicted value: 58.0 L/kg

Global applicability domain:  Inside

Local applicability domain index: 0.7

Confidence level: 0.81

Model Performance

QMRF

Weighted KNN model

5-fold CV (75%) Training (75%) Test (25%)
Q2 RMSE R2 RMSE R2 RMSE
0.81 0.55 0.81 0.54 0.71 0.61

Nearest Neighbors from the Training Set

3-Nitrobenzamide

Measured: 89.1

Predicted: 67.4

Benzamide, 4-methyl-

Measured: 60.3

Predicted: 49.5

2-Nitrobenzamide

Measured: 28.2

Predicted: 38.6

N-Methylbenzamide

Measured: 47.9

Predicted: 54.5

4-Nitrobenzamide

Measured: 85.1

Predicted: 70.7