OPERA Models: Bioconcentration Factor

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Phenol, 4-(2-(4-(2-chlorophenyl)-1-piperazinyl)ethoxy)-2-methyl-5-(1-methylethyl)-, monohydrochloride
103840-42-2 | DTXSID20146095

Model Results

Predicted value: 330

Global applicability domain:  Inside

Local applicability domain index: 0.29

Confidence level: 0.61

Model Performance

QMRF

Weighted KNN model

5-fold CV (75%) Training (75%) Test (25%)
Q2 RMSE R2 RMSE R2 RMSE
0.84 0.55 0.85 0.53 0.83 0.64

Nearest Neighbors from the Training Set

Oxadiazon

Measured: 1200

Predicted: 1210

4,4'-Methylenebis(2-chloroaniline)

Measured: 174

Predicted: 181

Alachlor

Measured: 13.2

Predicted: 20.8

Chlorobenzilate

Measured: 479

Predicted: 346