OPERA Models: Biodeg. Half-Life

Prolyl histamine hydrochloride
179308-53-3 | DTXSID20170794

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Model Results

Predicted value: 3.35 days

Global applicability domain: Outside

Local applicability domain index: 0.3

Confidence level: 0.92

Model Performance

Scatterplot
Histogram
QMRF

Weighted KNN model

5-fold CV (75%) Training (75%) Test (25%)
Q2 RMSE R2 RMSE R2 RMSE
0.89 0.25 0.88 0.26 0.75 0.38

Nearest Neighbors from the Training Set

  • 1-Methyl-2-propylbenzene

    Measured: 3.00
    Predicted: 3.16
  • 3-Ethyltoluene

    Measured: 3.00
    Predicted: 3.51
  • 1,3-Dimethyl-4-ethylbenzene

    Measured: 4.00
    Predicted: 3.89
  • 2-Ethyl-p-xylene

    Measured: 3.00
    Predicted: 3.54
  • 1-Ethyl-2-methylbenzene

    Measured: 4.00
    Predicted: 3.88