OPERA Models: Biodeg. Half-Life

Tromantadine [INN:DCF]
53783-83-8 | DTXSID00202062

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Model Results

Predicted value: 148 days

Global applicability domain: Outside

Local applicability domain index: 0.13

Confidence level: 0.63

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

  • Adamantane

    Measured: 1000
    Predicted: 983
  • Squalane

    Measured: 42.0
    Predicted: 45.8
  • Octahydro-exo-4,7-methano-1H-indene

    Measured: 1000
    Predicted: 677
  • Norphytane

    Measured: 42.0
    Predicted: 36.3
  • 9-Ethyl-9H-fluorene

    Measured: 29.0
    Predicted: 24.6