OPERA Models: Bioconcentration Factor

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Prolyl histamine hydrochloride
179308-53-3 | DTXSID20170794

Model Results

Predicted value: 2.19

Global applicability domain:  Inside

Local applicability domain index: 0.35

Confidence level: 0.79

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

Cycloheximide

Measured: 2.82

Predicted: 2.70

Hexamethylphosphoramide

Measured: 5.01e-01

Predicted: 6.28e-01

Bromacil

Measured: 3.24

Predicted: 2.83

Diethylenetriamine

Measured: 4.47

Predicted: 4.05

Carbendazim

Measured: 2.51

Predicted: 2.41