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