Purpose

FastRet is an R package for predicting retention times in liquid chromatography. It can be used through the R console or through a graphical user interface (GUI).

The package's key features include the ability to:

• Train new predictive models specific for your own chromatography column
• Use pre-trained models to predict retention times of molecules
• Adjust pre-trained models to accommodate modifications in chromatography columns

For further details see FastRets documentation site

Version Info

R version 4.4.3 (2025-02-28)
Platform: x86_64-pc-linux-gnu
Running under: Ubuntu 24.04.4 LTS

Matrix products: default
BLAS:   /usr/lib/x86_64-linux-gnu/openblas-pthread/libblas.so.3 
LAPACK: /usr/lib/x86_64-linux-gnu/openblas-pthread/libopenblasp-r0.3.26.so;  LAPACK version 3.12.0

locale:
 [1] LC_CTYPE=en_US.UTF-8          LC_NUMERIC=C                 
 [3] LC_TIME=en_US.UTF-8           LC_COLLATE=en_US.UTF-8       
 [5] LC_MONETARY=en_US.UTF-8       LC_MESSAGES=en_US.UTF-8      
 [7] LC_PAPER=en_US.UTF-8          LC_NAME=en_US.UTF-8          
 [9] LC_ADDRESS=en_US.UTF-8        LC_TELEPHONE=en_US.UTF-8     
[11] LC_MEASUREMENT=en_US.UTF-8    LC_IDENTIFICATION=en_US.UTF-8

time zone: Europe/Berlin
tzcode source: system (glibc)

attached base packages:
[1] stats     graphics  grDevices utils     datasets  methods   base     

other attached packages:
[1] shiny_1.13.0

loaded via a namespace (and not attached):
 [1] jsonlite_2.0.0     compiler_4.4.3     promises_1.5.0     Rcpp_1.1.1-1.1    
 [5] parallel_4.4.3     later_1.4.8        jquerylib_0.1.4    globals_0.19.1    
 [9] png_0.1-9          fastmap_1.2.0      mime_0.13          R6_2.6.1          
[13] shinyjs_2.1.1      shinyhelper_0.3.2  htmlwidgets_1.6.4  iterators_1.0.14  
[17] future_1.70.0      bslib_0.11.0       rlang_1.2.0        DT_0.34.0         
[21] FastRet_1.3.6      cachem_1.1.0       httpuv_1.6.17      sass_0.4.10       
[25] itertools_0.1-3    otel_0.2.0         memoise_2.0.1      cli_3.6.6         
[29] withr_3.0.2        magrittr_2.0.5     digest_0.6.39      fontawesome_0.5.3 
[33] rJava_1.0-18       xtable_1.8-8       lifecycle_1.0.5    listenv_0.10.1    
[37] codetools_0.2-20   rcdk_3.8.2         fingerprint_3.5.10 parallelly_1.47.0 
[41] tools_4.4.3        rcdklibs_2.9       htmltools_0.5.9