MetChem
Chemical Structural Similarity Analysis
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, Cacciatore S, Luchinat C, Tenori L. (2014) Proc Natl Acad Sci USA doi:10.1073/pnas.1220873111, and Abdel-Shafy EA, Melak T, MacIntyre DA, Zadra G, Zerbini LF, Piazza S, Cacciatore S. (2023) Bioinformatics Advances doi:10.1093/bioadv/vbad053.
- Version0.4
- R version≥ 3.5.0 stats,
- LicenseGPL-2
- LicenseGPL-3
- Needs compilation?No
- Bioinformatics
- Proc Natl Acad Sci USA
- Bioinformatics Advances
- Last release07/06/2023
Documentation
Team
Stefano Cacciatore
Ebtesam Abdel-Shafy
Show author detailsRolesAuthorTadele Melak
Show author detailsRolesAuthorDavid A. MacIntyre
Show author detailsRolesAuthorGiorgia Zadra
Show author detailsRolesAuthorLuiz F. Zerbini
Show author detailsRolesAuthorSilvano Piazza
Show author detailsRolesAuthor
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