PAC: GC retention indices

In chemometrics: Multivariate Statistical Analysis in Chemometrics

GC retention indices

Description

For 209 objects an X-data set (467 variables) and a y-data set (1 variable) is available. The data describe GC-retention indices of polycyclic aromatic compounds (y) which have been modeled by molecular descriptors (X).

Usage

data(PAC)

Format

A data frame with 209 objects and 2 list elements:

y

numeric vector with length 209

X

matrix with 209 rows and 467 columns

Details

The data can be used for linear and non-linear models.

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

data(PAC)
names(PAC)

chemometrics documentation built on Aug. 25, 2023, 5:18 p.m.