OPERA Models: Biodeg. Half-Life

Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(3-(4-(2-pyridinyl)-1-piperazinyl)propyl)-, 1,1-dioxide
145787-27-5 | DTXSID90163158

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Model Results

Predicted value: 15.4 days

Global applicability domain: Outside

Local applicability domain index: 0.14

Confidence level: 0.7

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

  • Norphytane

    Measured: 42.0
    Predicted: 36.3
  • Squalane

    Measured: 42.0
    Predicted: 45.8
  • Tetradeca-1,13-diene

    Measured: 13.0
    Predicted: 8.69
  • 2,4-Dimethylheptane

    Measured: 6.00
    Predicted: 4.33