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 4.4.0 (2024-04-24)
Platform: x86_64-pc-linux-gnu
Running under: Ubuntu 22.04.3 LTS

Matrix products: default
BLAS:   /usr/lib/x86_64-linux-gnu/blas/libblas.so.3.10.0 
LAPACK: /usr/lib/x86_64-linux-gnu/lapack/liblapack.so.3.10.0

locale:
 [1] LC_CTYPE=C.UTF-8    LC_NUMERIC=C        LC_TIME=C          
 [4] LC_COLLATE=C        LC_MONETARY=C       LC_MESSAGES=C      
 [7] LC_PAPER=C          LC_NAME=C           LC_ADDRESS=C       
[10] LC_TELEPHONE=C      LC_MEASUREMENT=C    LC_IDENTIFICATION=C

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

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

other attached packages:
[1] shiny_1.8.1.1

loaded via a namespace (and not attached):
 [1] sass_0.4.9        future_1.33.2     utf8_1.2.4        generics_0.1.3   
 [5] shape_1.4.6.1     shinybusy_0.3.3   lattice_0.22-5    listenv_0.9.1    
 [9] digest_0.6.35     magrittr_2.0.3    grid_4.4.0        iterators_1.0.14 
[13] fastmap_1.2.0     xgboost_1.7.7.1   foreach_1.5.2     jsonlite_1.8.8   
[17] glmnet_4.1-8      Matrix_1.6-5      rcdklibs_2.9      rcdk_3.8.1       
[21] survival_3.7-0    promises_1.3.0    fansi_1.0.6       itertools_0.1-3  
[25] scales_1.3.0      jquerylib_0.1.4   codetools_0.2-19  cli_3.6.2        
[29] rlang_1.1.4       parallelly_1.37.1 munsell_0.5.1     shinyhelper_0.3.2
[33] splines_4.4.0     cachem_1.1.0      tools_4.4.0       parallel_4.4.0   
[37] memoise_2.0.1     dplyr_1.1.4       colorspace_2.1-0  ggplot2_3.5.1    
[41] httpuv_1.6.15     globals_0.16.3    fingerprint_3.5.7 vctrs_0.6.5      
[45] R6_2.5.1          mime_0.12         png_0.1-8         lifecycle_1.0.4  
[49] htmlwidgets_1.6.4 shinyjs_2.1.0     fontawesome_0.5.2 pkgconfig_2.0.3  
[53] bslib_0.7.0       rJava_1.0-11      pillar_1.9.0      later_1.3.2      
[57] gtable_0.3.5      data.table_1.15.4 glue_1.7.0        Rcpp_1.0.12      
[61] tibble_3.2.1      tidyselect_1.2.1  xtable_1.8-4      htmltools_0.5.8.1
[65] compiler_4.4.0    FastRet_1.0.2