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MetChem  

Chemical Structural Similarity Analysis
View on CRAN: Click here


Download and install MetChem package within the R console
Install from CRAN:
install.packages("MetChem")

Install from Github:
library("remotes")
install_github("cran/MetChem")

Install by package version:
library("remotes")
install_version("MetChem", "0.5")



Attach the package and use:
library("MetChem")
Maintained by
Stefano Cacciatore
[Scholar Profile | Author Map]
All associated links for this package
First Published: 2022-12-20
Latest Update: 2025-06-04
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 , Cacciatore S, Luchinat C, Tenori L. (2014) Proc Natl Acad Sci USA , and Abdel-Shafy EA, Melak T, MacIntyre DA, Zadra G, Zerbini LF, Piazza S, Cacciatore S. (2023) Bioinformatics Advances .
How to cite:
Stefano Cacciatore (2022). MetChem: Chemical Structural Similarity Analysis. R package version 0.5, https://cran.r-project.org/web/packages/MetChem. Accessed 24 Oct. 2026.
Previous versions and publish date:
0.1 (2022-12-20 14:00), 0.2 (2023-02-02 14:00), 0.3 (2023-02-28 08:22), 0.4 (2023-07-06 09:43), 0.5 (2025-06-04 18:30), (2026-07-09 08:10)
Other packages that cited MetChem R package
View MetChem citation profile
Other R packages that MetChem depends, imports, suggests or enhances
Complete documentation for MetChem
Functions, R codes and Examples using the MetChem R package
Full MetChem package functions and examples
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