A framework for predicting retention times in liquid
chromatography. Users can train custom models for specific
chromatography columns, predict retention times using existing models,
or adjust existing models to account for altered experimental
conditions. The provided functionalities can be accessed either via
the R console or via a graphical user interface. Related work: Bonini
et al. (2020) <doi:10.1021/acs.analchem.9b05765>.
| Version: |
1.1.3 |
| Depends: |
R (≥ 4.1.0) |
| Imports: |
bslib, caret, cluster, data.table, digest, DT, future, ggplot2, glmnet, htmltools, promises, rcdk, readxl, shiny (≥
1.8.1), shinybusy, shinyhelper, shinyjs, xgboost, xlsx |
| Suggests: |
cli, devtools, doParallel, httpgd, knitr, languageserver, lintr, pkgdown, pkgbuild, pkgload, rlang, rmarkdown, servr, tibble, testthat (≥ 3.0.0), toscutil, usethis, withr |
| Published: |
2024-06-25 |
| DOI: |
10.32614/CRAN.package.FastRet |
| Author: |
Christian Amesoeder
 [aut, cph],
Marian Schoen [aut, cph],
Tobias Schmidt
[aut, cre, cph],
Fadi Fadil [ctb],
Katja Dettmer
[ths, cph],
Peter Oefner
[ths, cph] |
| Maintainer: |
Tobias Schmidt <tobias.schmidt331 at gmail.com> |
| BugReports: |
https://github.com/spang-lab/FastRet/issues |
| License: |
GPL-3 |
| URL: |
https://github.com/spang-lab/FastRet/,
https://spang-lab.github.io/FastRet/ |
| NeedsCompilation: |
no |
| Materials: |
README NEWS |
| CRAN checks: |
FastRet results [issues need fixing before 2024-07-09] |