MetChem (Q73276)
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Chemical Structural Similarity Analysis
| Language | Label | Description | Also known as |
|---|---|---|---|
| default for all languages | No label defined |
||
| English | MetChem |
Chemical Structural Similarity Analysis |
Statements
6 July 2023
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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>.
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expanded from: GPL (≥ 2) (English)
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Ebtesam A Abdel-Shafy
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Tadele Melak
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David A. MacIntyre
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Giorgia Zadra
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Luiz F. Zerbini
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Silvano Piazza
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