OPERA Models: Biodeg. Half-Life

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

Model Results

Predicted value: 148 days

Global applicability domain:  Outside

Local applicability domain index: 0.13

Confidence level: 0.63

Model Performance

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