aminoacids {ropls} | R Documentation

## Amino-Acids Dataset

### Description

Quantitative structure property relationship (QSPR)

### Format

A data frame with the following parameters:

- AA amino acid

- PIE lipophilicity constant of the AA side chain

- PIF lipophilicity constant of the AA side chain

- DGR free energy of transfer of an AA side chain from protein interior to water

- SAC water-accessible surface area of AA's calculated by MOLSV

- MR molecular refractivity

- Lam polarity parameter

- Vol molecular volume of AA's calculated by MOLSV

- DDGTS free energy of unfolding of the tryptophane synthase a unit of bacteriophage T4 lysosome

### Value

Data frame (numeric type except the first column, which can be transformed into row names) with 19 rows and the 9 columns contaning information about amino acids. For details see the 'Format' section above.

### Source

'aminoacids' dataset.

### References

Wold et al. (2001). PLS-regression: a basic tool of chemometrics. Chemometrics and Intelligent Laboratory Systems. 58:109-130.

[Package ropls version 1.12.0 Index]