This repository is archived. Package rchemo has been moved to this new repository.
Jchemo provides functions and pipelines for predictions in chemometrics or other domains, with focus on high dimensional data.
The package was initially about k-nearest neighbors locally weighted partial least squares regression and discrimination models (kNN-LWPLSR an kNN-LWPLSDA; e.g. Lesnoff et al 2021 https://doi.org/10.1002/cem.3209). It has now been expanded to other methods.
Generic functions such as transform, predict, coef and summary are available. Tuning the models is facilitated by functions gridscore (validation dataset) and gridcv (cross-validation), with faster versions for models based on latent variables (LVs) (gridscorelv and gridcvlv) and ridge regularization (gridscorelb and gridcvlb).
NOTE: This R package rchemo is currently only maintained. The new current and more expanded package is Jchemo in Julia language.
Click HERE to see the list of the available functions
After the package installation, all the functions have a help page with documented examples.
Click HERE to see what changed in the last version
or write in the R console
news(package = "rchemo")
rchemo is dependent to the following packages available on CRAN:
| Package | Which use in rchemo? |
|---|---|
| data.table | Fast data management |
| FNN | Fast search of nearest neighbours |
| signal | Savitsky-Golay derivation, and signal interpolation |
| e1071 | SVM models |
Using Rstudio is recommended for installation and usage
Use the Rstudio menu
or write in the R console
install.packages("remotes")
a) Most recent version
Write in the R console
remotes::install_github("mlesnoff/rchemo", dependencies = TRUE,
build_vignettes = TRUE)
In case of the following question during installation process:
These packages have more recent versions available.
Which would you like to update?"
it is recommended to skip updates (usually choice 3 = None)
b) Any given tagged version
e.g. with tag "v1.9-0" (Be carefull, this is not the more recent version)
write in the R console
remotes::install_github("mlesnoff/rchemo@v1.9-0", dependencies = TRUE,
build_vignettes = TRUE)
Write in the R console
library(rchemo)
Matthieu Lesnoff
-
Cirad, UMR Selmet, Montpellier, France
-
ChemHouse, Montpellier
Lesnoff, M. 2021. R package rchemo: Dimension reduction, Regression and Discrimination for Chemometrics. https://github.com/mlesnoff/rchemo. CIRAD, UMR SELMET, Montpellier, France