OPERA Models: LogP: Octanol-Water

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Brevetoxin A
98112-41-5 | DTXSID60879996

Model Results

Predicted value: 2.72

Global applicability domain:  Outside

Local applicability domain index: 0.28

Confidence level: 0.68

Model Performance

QMRF

Weighted KNN model

5-fold CV (75%) Training (75%) Test (25%)
Q2 RMSE R2 RMSE R2 RMSE
0.85 0.69 0.86 0.67 0.86 0.78

Nearest Neighbors from the Training Set

Pengitoxin

Measured: 3.46

Predicted: 3.44