R package and shiny app (used for the website) for prediction of retention times.
The shiny apps that runs on the PredRet.org server is in retdb and retdb_admin.
The R package to retrieve data from the database directly from R can be installed with:
install.packages("devtools")
library(devtools)
source("https://bioconductor.org/biocLite.R")
biocLite("pcaMethods")
install_github("mongosoup/rmongodb")
install_github("stanstrup/Rplot.extra")
install_github("stanstrup/massageR")
install_github("stanstrup/PredRet",subdir = "PredRetR")The publication is available from http://dx.doi.org/10.1021/acs.analchem.5b02287.
Visit the website at http://predret.org to start predicting retention times!