robustbase (version 0.95-1)

alcohol: Alcohol Solubility in Water Data

Description

The solubility of alcohols in water is important in understanding alcohol transport in living organisms. This dataset from (Romanelli et al., 2001) contains physicochemical characteristics of 44 aliphatic alcohols. The aim of the experiment was the prediction of the solubility on the basis of molecular descriptors.

Usage

data(alcohol, package="robustbase")

Format

A data frame with 44 observations on the following 7 numeric variables.

SAG

solvent accessible surface-bounded molecular volume.

V

volume

logPC

Log(PC); PC = octanol-water partitions coefficient

P

polarizability

RM

molar refractivity

Mass

the mass

logSolubility

ln(Solubility), the response.

References

Maronna, R.A., Martin, R.D. and Yohai, V.J. (2006) Robust Statistics, Theory and Methods, Wiley.

Examples

data(alcohol)
## version of data set with trivial names, as
s.alcohol <- alcohol
names(s.alcohol) <- paste("Col", 1:7, sep='')