<?xml version="1.0" encoding="UTF-8"?>
<oai_dc:dc xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
  <dc:title>Retention Time Prediction in Liquid Chromatography</dc:title>
  <dc:title>R package FastRet version 1.5.2</dc:title>
  <dc:description>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. For details see
    Fadil et al. (2026) &lt;doi:10.1021/acs.jcim.6c01344&gt;. Related work:
    Bonini et al. (2020) &lt;doi:10.1021/acs.analchem.9b05765&gt;.</dc:description>
  <dc:type>Software</dc:type>
  <dc:relation>Depends: R (&gt;= 4.1.0)</dc:relation>
  <dc:relation>Imports: bslib, cluster, data.table, DBI, DT, future (&gt;= 1.40.0),
ggplot2, glmnet, htmltools, openxlsx, promises, rcdk, rlang,
RSQLite, shiny (&gt;= 1.8.1), shinyhelper, shinyjs, withr, xgboost</dc:relation>
  <dc:relation>Suggests: callr, caret, chromote, cli, devtools, knitr, languageserver,
lintr, pkgdown, pkgbuild, pkgload, rmarkdown, servr,
shinytest2, tibble, testthat (&gt;= 3.0.0), toscutil, usethis</dc:relation>
  <dc:creator>Tobias Schmidt &lt;tobias.schmidt331@gmail.com&gt;</dc:creator>
  <dc:publisher>Comprehensive R Archive Network (CRAN)</dc:publisher>
  <dc:contributor>Tobias Schmidt [aut, cre, cph] (ORCID:
    &lt;https://orcid.org/0000-0001-9681-9253&gt;),
  Christian Amesoeder [aut, cph] (ORCID:
    &lt;https://orcid.org/0000-0002-1668-8351&gt;),
  Marian Schoen [aut, cph],
  Fadi Fadil [aut, cph] (ORCID: &lt;https://orcid.org/0000-0002-9532-1901&gt;),
  Katja Dettmer [aut, cph] (ORCID:
    &lt;https://orcid.org/0000-0001-7337-2380&gt;),
  Peter Oefner [ths, cph] (ORCID:
    &lt;https://orcid.org/0000-0002-1499-3977&gt;)</dc:contributor>
  <dc:rights>GPL-3</dc:rights>
  <dc:date>2026-10-24</dc:date>
  <dc:format>application/tgz</dc:format>
  <dc:identifier>https://CRAN.R-project.org/package=FastRet</dc:identifier>
  <dc:identifier>doi:10.32614/CRAN.package.FastRet</dc:identifier>
  <dc:language>en-US</dc:language>
</oai_dc:dc>
