OPERA Models: Soil Adsorp. Coeff.

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Prolyl histamine hydrochloride
179308-53-3 | DTXSID20170794

Model Results

Predicted value: 34.6 L/kg

Global applicability domain:  Inside

Local applicability domain index: 0.41

Confidence level: 0.51

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

Cymoxanil

Measured: 123

Predicted: 71.3

Dioxacarb

Measured: 39.8

Predicted: 55.1

Asulam

Measured: 39.8

Predicted: 28.8

Monocrotophos

Measured: 1.00

Predicted: 2.81

Simetone

Measured: 219

Predicted: 219