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] gtable_0.3.5      shape_1.4.6.1     bslib_0.7.0       ggplot2_3.5.1    
 [5] shinyjs_2.1.0     htmlwidgets_1.6.4 rJava_1.0-11      lattice_0.22-5   
 [9] vctrs_0.6.5       tools_4.4.0       crosstalk_1.2.1   generics_0.1.3   
[13] parallel_4.4.0    tibble_3.2.1      fansi_1.0.6       pkgconfig_2.0.3  
[17] Matrix_1.6-5      data.table_1.15.4 readxl_1.4.3      lifecycle_1.0.4  
[21] compiler_4.4.0    textshaping_0.4.0 munsell_0.5.1     fontawesome_0.5.2
[25] codetools_0.2-19  httpuv_1.6.15     htmltools_0.5.8.1 sass_0.4.9       
[29] fingerprint_3.5.7 yaml_2.3.8        glmnet_4.1-8      later_1.3.2      
[33] pillar_1.9.0      jquerylib_0.1.4   FastRet_1.0.2     DT_0.33          
[37] cachem_1.1.0      iterators_1.0.14  foreach_1.5.2     mime_0.12        
[41] parallelly_1.37.1 tidyselect_1.2.1  digest_0.6.35     shinybusy_0.3.3  
[45] future_1.33.2     dplyr_1.1.4       listenv_0.9.1     splines_4.4.0    
[49] fastmap_1.2.0     grid_4.4.0        colorspace_2.1-0  cli_3.6.2        
[53] magrittr_2.0.3    xlsxjars_0.6.1    survival_3.7-0    utf8_1.2.4       
[57] scales_1.3.0      promises_1.3.0    xgboost_1.7.7.1   globals_0.16.3   
[61] cellranger_1.1.0  ragg_1.3.2        png_0.1-8         rcdklibs_2.9     
[65] memoise_2.0.1     rlang_1.1.4       itertools_0.1-3   Rcpp_1.0.12      
[69] xtable_1.8-4      glue_1.7.0        shinyhelper_0.3.2 rcdk_3.8.1       
[73] xlsx_0.6.5        jsonlite_1.8.8    R6_2.5.1          systemfonts_1.1.0