OPERA Models: Vapor Pressure

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Ciguatoxin 1
11050-21-8 | DTXSID40880000

Model Results

Predicted value: 5.96e-06 mmHg

Global applicability domain:  Outside

Local applicability domain index: 0.00

Confidence level: 0.56

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

Lactic acid

Measured: 8.13e-02

Predicted: 5.32e-02

Dichlorodiphenyltrichloroethane

Measured: 1.60e-07

Predicted: 5.66e-07

2,3,6-Trichlorobenzoic acid

Measured: 5.50e-04

Predicted: 2.09e-04

Benzo(a)pyrene

Measured: 5.49e-09

Predicted: 8.95e-09

Cocaine

Measured: 1.91e-07

Predicted: 3.59e-07