selectionMet

This function select metabolites from the list generated by <code>readMet</code> function.

A new pipeline to explore chemical structural similarity across metabolites. It allows the metabolite classification in structurally-related modules and identifies common shared functional groups. The 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>.

Stefano Cacciatore

MetChem

Chemical Structural Similarity Analysis

Ebtesam Abdel-Shafy

Tadele Melak

David A. MacIntyre

Giorgia Zadra

Luiz F. Zerbini

Silvano Piazza

selectionMet function

<dl> <dt>doc</dt>
<dd>A list of metabolites information produced by <code>readMet</code> function.</dd> <dt>sel</dt>
<dd>A vector of metabolite's HMDBcode that will be selected</dd></dl>

Arguments

Metabolites selection — selectionMet

<dl>

 <dt>doc</dt>
<dd>A list of metabolites information produced by <code>readMet</code> function.</dd>

 <dt>sel</dt>
<dd>A vector of metabolite's HMDBcode that will be selected</dd>

</dl>

selectionMet: Metabolites selection

Description

Usage

Value

Arguments

See Also

Examples