Phenyl data set

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Description

The data consist of mass spectra from 600 chemical compounds, where 300 contain a phenyl substructure (group 1) and 300 compounds do not contain this substructure (group 2). The mass spectra have been transformed to 658 variables, containing the mass spectral features. The 2 groups are coded as -1 (group 1) and +1 (group 2), and is provided as first last variable.

Usage

1

Format

A data frame with 600 observations on the following 659 variables.

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Details

The data set can be used for classification in high dimensions.

Source

K. Varmuza and P. Filzmoser: Introduction to Multivariate Statistical Analysis in Chemometrics. CRC Press, Boca Raton, FL, 2009.

References

K. Varmuza and P. Filzmoser: Introduction to Multivariate Statistical Analysis in Chemometrics. CRC Press, Boca Raton, FL, 2009.

Examples

1
2

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