OPERA Models: Bioconcentration Factor

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palytoxin
77734-91-9 | DTXSID90423027

Model Results

Predicted value: 3.19

Global applicability domain:  Outside

Local applicability domain index: 0.02

Confidence level: 0.84

Model Performance

QMRF

Weighted KNN model

5-fold CV (75%) Training (75%) Test (25%)
Q2 RMSE R2 RMSE R2 RMSE
0.84 0.55 0.85 0.53 0.83 0.64

Nearest Neighbors from the Training Set

7,7'-(Carbonyldiimino)bis[4-hydroxy-2-naphthalenesulfonic acid]

Measured: 1.82

Predicted: 1.87

Monosodium 8-amino-1-naphthol-3,6-disulfonate

Measured: 2.88

Predicted: 2.81

Docusate sodium

Measured: 9.33

Predicted: 9.46

Hexa(methoxymethyl)melamine

Measured: 3.47

Predicted: 3.53

Disodium 3-hydroxynaphthalene-2,7-disulfonate

Measured: 2.00

Predicted: 2.07