Package: FastRet 1.1.4
Tobias Schmidt
FastRet: Retention Time Prediction in Liquid Chromatography
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>.
Authors:
FastRet_1.1.4.tar.gz
FastRet_1.1.4.zip(r-4.5)FastRet_1.1.4.zip(r-4.4)FastRet_1.1.4.zip(r-4.3)
FastRet_1.1.4.tgz(r-4.5-any)FastRet_1.1.4.tgz(r-4.4-any)FastRet_1.1.4.tgz(r-4.3-any)
FastRet_1.1.4.tar.gz(r-4.5-noble)FastRet_1.1.4.tar.gz(r-4.4-noble)
FastRet_1.1.4.tgz(r-4.4-emscripten)FastRet_1.1.4.tgz(r-4.3-emscripten)
FastRet.pdf |FastRet.html✨
FastRet/json (API)
NEWS
| # Install 'FastRet' in R: |
| install.packages('FastRet', repos = c('https://spang-lab.r-universe.dev', 'https://cloud.r-project.org')) |
Bug tracker:https://github.com/spang-lab/fastret/issues
Pkgdown site:https://spang-lab.github.io
- RP - Retention Times (RT) Measured on a Reverse Phase (RP) Column
retentiontimechromotographylc-msdata-sciencelcmsopenjdk
Last updated 12 days agofrom:afc5eb72d6. Checks:8 OK. Indexed: yes.
| Target | Result | Latest binary |
|---|---|---|
| Doc / Vignettes | OK | Feb 11 2025 |
| R-4.5-win | OK | Feb 11 2025 |
| R-4.5-mac | OK | Feb 11 2025 |
| R-4.5-linux | OK | Feb 11 2025 |
| R-4.4-win | OK | Feb 11 2025 |
| R-4.4-mac | OK | Feb 11 2025 |
| R-4.3-win | OK | Feb 11 2025 |
| R-4.3-mac | OK | Feb 11 2025 |
Exports:adjust_frmanalyzeCDNamescatfCDFeaturesCDNamescollectfastret_appget_cache_dirget_predictorsgetCDsgetCDsFor1Moleculeinit_log_dirnowpkg_filepreprocess_dataram_cacheread_retip_hilic_dataread_rp_lasso_model_rdsread_rp_xlsxread_rpadj_xlsxselective_measuringstart_guitrain_frmwithLineEndwithSinkwithStopMessagewithTimeout
Dependencies:base64encbslibcachemcaretcellrangerclasscliclockclustercodetoolscolorspacecommonmarkcpp11crayoncrosstalkdata.tablediagramdigestdplyrDTe1071evaluatefansifarverfastmapfingerprintfontawesomeforeachfsfuturefuture.applygenericsggplot2glmnetglobalsgluegowergtablehardhathighrhmshtmltoolshtmlwidgetshttpuvipredisobanditeratorsitertoolsjquerylibjsonliteKernSmoothknitrlabelinglaterlatticelavalazyevallifecyclelistenvlubridatemagrittrmarkdownMASSMatrixmemoisemgcvmimeModelMetricsmunsellnlmennetnumDerivparallellypillarpkgconfigplyrpngprettyunitspROCprodlimprogressprogressrpromisesproxypurrrR6rappdirsrcdkrcdklibsRColorBrewerRcppRcppEigenreadxlrecipesrematchreshape2rJavarlangrmarkdownrpartsassscalesshapeshinyshinybusyshinyhelpershinyjssourcetoolssparsevctrsSQUAREMstringistringrsurvivaltibbletidyrtidyselecttimechangetimeDatetinytextzdbutf8vctrsviridisLitewithrxfunxgboostxlsxxlsxjarsxtableyaml
Readme and manuals
Help Manual
| Help page | Topics |
|---|---|
| Adjust an existing FastRet model for use with a new column | adjust_frm |
| The FastRet GUI | fastret_app |
| Get Chemical Descriptors for a list of molecules | getCDs |
| Predict retention times using a FastRet Model | predict.frm |
| Preprocess data | preprocess_data |
| Download and read the HILIC dataset from Retip the package | read_retip_hilic_data |
| LASSO Model trained on RP dataset | read_rp_lasso_model_rds |
| Read retention times (RT) measured on a reverse phase (RP) column | read_rp_xlsx |
| Hypothetical retention times (RT) measured on a reverse phase (RP) column | read_rpadj_xlsx |
| Retention Times (RT) Measured on a Reverse Phase (RP) Column | RP |
| Selective Measuring | selective_measuring |
| Start the FastRet GUI | start_gui |
| Train a new FastRet model (FRM) for retention time prediction | train_frm |
