OPERA Models: Vapor Pressure

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Decarbamylsaxitoxin
58911-04-9 | DTXSID70207660

Model Results

Predicted value: 1.30e-09 mmHg

Global applicability domain:  Outside

Local applicability domain index: 0.17

Confidence level: 0.32

Model Performance

QMRF

Weighted KNN model

5-fold CV (75%) Training (75%) Test (25%)
Q2 RMSE R2 RMSE R2 RMSE
0.91 1.08 0.91 1.08 0.92 1.00

Nearest Neighbors from the Training Set

C.I. Disperse Blue 1

Measured: 1.80e-08

Predicted: 1.56e-08

Melamine

Measured: 3.59e-10

Predicted: 4.38e-10

Tetraethylenepentamine

Measured: 8.00e-07

Predicted: 1.09e-06

alpha-d-glucopyranose

Measured: 8.02e-14

Predicted: 3.88e-13

Cyromazine

Measured: 3.36e-09

Predicted: 2.29e-09