OPERA Models: Bioconcentration Factor

Prolyl histamine hydrochloride
179308-53-3 | DTXSID20170794

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Model Results

Predicted value: 2.19

Global applicability domain: Inside

Local applicability domain index: 0.35

Confidence level: 0.79

Model Performance

Scatterplot
Histogram
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