OPERA Models: Soil Adsorp. Coeff.

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Anatoxin a
64285-06-9 | DTXSID50867064

Model Results

Predicted value: 111 L/kg

Global applicability domain:  Inside

Local applicability domain index: 0.52

Confidence level: 0.7

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

1-Naphthaleneacetamide

Measured: 100

Predicted: 133

1-Hydroxymethylnaphthalene

Measured: 148

Predicted: 192

XMC

Measured: 51.3

Predicted: 89.6

4-N-BUTYLBENZOTRIAZOLE

Measured: 145

Predicted: 134

1-Naphthaleneacetic acid

Measured: 158

Predicted: 192