alkanes: Methylalkanes Retention Index Dataset

Description

Methylalkanes retention index dataset from Liang et, al.

Usage

1
data("alkanes")

Format

A list with 2 components:

Details

This dataset contains 207 methylalkanes' chromatographic retention index (y) which have been modeled by 21 molecular descriptors (x).

Molecular descriptor types:

References

Yi-Zeng Liang, Da-Lin Yuan, Qing-Song Xu, and Olav Martin Kvalheim. "Modeling based on subspace orthogonal projections for QSAR and QSPR research." Journal of Chemometrics 22, no. 1 (2008): 23–35.

Examples

1
2
data("alkanes")
str(alkanes)

Questions? Problems? Suggestions? or email at ian@mutexlabs.com.

All documentation is copyright its authors; we didn't write any of that.