OPERA Models: LogP: Octanol-Water

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: 2.31

Global applicability domain: Inside

Local applicability domain index: 0.44

Confidence level: 0.62

Model Performance

Scatterplot
Histogram
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

  • Sildenafil

    Measured: 2.75
    Predicted: 2.59
  • 1,3,5-TRIAZINE,A-23

    Measured: 2.01
    Predicted: 2.11
  • 1,2,5-THIADIAZOLE-1-DIOXIDE,3-(HEXYLAMINO) ANALO

    Measured: 3.46
    Predicted: 3.43
  • 4,7-METHANO-1H-ISOINDOLE-1,3(2H)-DIONE, 3A,4,7,7

    Measured: 1.36
    Predicted: 1.61