Package: MetChem
Version: 0.3
Date: 2023-02-21
Authors@R: c(person("Ebtesam","Abdel-Shafy",role="aut"),
             person("Tadele","Melak",role="aut"),
             person("David A.","MacIntyre",role="aut"),
             person("Giorgia","Zadra",role="aut"),
             person("Luiz F.","Zerbini",role="aut"),
             person("Silvano","Piazza",role="aut"),
             person("Stefano","Cacciatore",email="tkcaccia@gmail.com",role=c("aut","cre")))
Maintainer: Stefano Cacciatore <tkcaccia@gmail.com>
Title: Chemical Structural Similarity Analysis
Description: A new pipeline to explore chemical structural similarity across metabolite. It allows to classify metabolites in structurally-related modules and identify common shared functional groups. KODAMA algorithm is used to highlight structural similarity between metabolites. See Cacciatore S, Tenori L, Luchinat C, Bennett PR, MacIntyre DA. (2017) Bioinformatics <doi:10.1093/bioinformatics/btw705> and Cacciatore S, Luchinat C, Tenori L. (2014) Proc Natl Acad Sci USA <doi:10.1073/pnas.1220873111>.
Depends: R (>= 3.5.0), stats, KODAMA (>= 2.3), httr, XML, fingerprint,
        rcdk (>= 3.4.3)
Suggests: knitr, rmarkdown, readxl, impute, pheatmap, RColorBrewer
VignetteBuilder: knitr
SuggestsNote: No suggestions
License: GPL (>= 2)
Packaged: 2023-02-28 07:01:46 UTC; stefano
NeedsCompilation: no
Repository: CRAN
Author: Ebtesam Abdel-Shafy [aut],
  Tadele Melak [aut],
  David A. MacIntyre [aut],
  Giorgia Zadra [aut],
  Luiz F. Zerbini [aut],
  Silvano Piazza [aut],
  Stefano Cacciatore [aut, cre]
Date/Publication: 2023-02-28 07:22:30 UTC
Built: R 4.1.3; ; 2023-04-17 17:03:19 UTC; windows
