R Dataset / Package robustbase / toxicity
On this Picostat.com statistics page, you will find information about the toxicity data set which pertains to Toxicity of Carboxylic Acids Data. The toxicity data set is found in the robustbase R package. Try to load the toxicity data set in R by issuing the following command at the console data("toxicity"). This may load the data into a variable called toxicity. If R says the toxicity data set is not found, you can try installing the package by issuing this command install.packages("robustbase") and then attempt to reload the data with library("robustbase") followed by data("toxicity"). Perhaps strangley, if R gives you no output after entering a command, it means the command succeeded. If it succeeded you can see the data by typing toxicity at the command-line which should display the entire dataset.
If you need to download R, you can go to the R project website. You can download a CSV (comma separated values) version of the toxicity R data set. The size of this file is about 2,242 bytes.
Toxicity of Carboxylic Acids Data
The aim of the experiment was to predict the toxicity of carboxylic acids on the basis of several molecular descriptors.
A data frame with 38 observations on the following 10 variables which are attributes for carboxylic acids:
The website accompanying the MMY-book: http://www.wiley.com/legacy/wileychi/robust_statistics
Maguna, F.P., Núñez, M.B., Okulik, N.B. and Castro, E.A. (2003) Improved QSAR analysis of the toxicity of aliphatic carboxylic acids; Russian Journal of General Chemistry 73, 1792–1798.
data(toxicity) summary(toxicity) plot(toxicity) plot(toxicity ~ pKa, data = toxicity)## robustly scale the data (to scale 1) using Qn (scQ.tox <- sapply(toxicity, Qn)) scTox <- scale(toxicity, center = FALSE, scale = scQ.tox) csT <- covOGK(scTox, n.iter = 2, sigmamu = s_Qn, weight.fn = hard.rejection) as.dist(round(cov2cor(csT$cov), 2))
Dataset imported from https://www.r-project.org.
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