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Table 4 Performance parameters for independent testing data on all models

From: Dimensionally reduced machine learning model for predicting single component octanol–water partition coefficients

 

MF-LOGP

XLOGP3

MLOGP

iLOGP

ALOGPS

KOWWIN

WLOGP

SILICOS-IT

AAM

\(RMSE\)

0.77

0.42

1.08

1.54

0.47

0.67

0.94

1.20

1.64

\(MAE\)

0.52

0.09

0.78

1.07

0.30

0.40

0.68

0.87

1.23

\({R}^{2}\)

0.83

0.95

0.72

0.32

0.94

0.93

0.75

0.62

0.51

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Journal of Cheminformatics

ISSN: 1758-2946

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