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comparison tools/networkAnalysis/ChemSimilarityWeighting/ChemSimilarityWeighting.xml @ 11:40c15b7467f1 draft default tip

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planemo upload for repository https://forgemia.inra.fr/metexplore/met4j-galaxy commit 61dbdbae896d18b519a470e056cb8b4f98394518
author metexplore
date Thu, 13 Feb 2025 15:08:22 +0000
parents 6a112eaf8f38
children
comparison
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10:6a112eaf8f38 11:40c15b7467f1
1 <?xml version="1.0" encoding="UTF-8" standalone="no"?> 1 <?xml version="1.0" encoding="UTF-8" standalone="no"?>
2 <tool id="met4j_ChemSimilarityWeighting" name="ChemSimilarityWeighting" version="2.0.0"> 2 <tool id="met4j_ChemSimilarityWeighting" name="ChemSimilarityWeighting" version="2.0.1">
3 <description>Provides tabulated compound graph edge list, with one column with reactant pair's chemical similarity.</description> 3 <description>Provides tabulated compound graph edge list, with one column with reactant pair's chemical similarity.</description>
4 <xrefs> 4 <xrefs>
5 <xref type="bio.tools">met4j</xref> 5 <xref type="bio.tools">met4j</xref>
6 </xrefs> 6 </xrefs>
7 <requirements> 7 <requirements>
8 <container type="singularity">oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:2.0.0</container> 8 <container type="singularity">oras://registry.forgemia.inra.fr/metexplore/met4j/met4j-singularity:2.0.1</container>
9 </requirements> 9 </requirements>
10 <command detect_errors="exit_code"><![CDATA[sh /usr/bin/met4j.sh networkAnalysis.ChemSimilarityWeighting#if str($type): 10 <command detect_errors="exit_code"><![CDATA[sh /usr/bin/met4j.sh networkAnalysis.ChemSimilarityWeighting#if str($type):
11 -f "$type" 11 -f "$type"
12 #end if 12 #end if
13 #if str($smileFile): 13 #if str($smileFile):
66 </outputs> 66 </outputs>
67 <tests/> 67 <tests/>
68 <help><![CDATA[Provides tabulated compound graph edge list, with one column with reactant pair's chemical similarity.Chemical similarity has been proposed as edge weight for finding meaningful paths in metabolic networks, using shortest (lightest) path search.]]></help> 68 <help><![CDATA[Provides tabulated compound graph edge list, with one column with reactant pair's chemical similarity.Chemical similarity has been proposed as edge weight for finding meaningful paths in metabolic networks, using shortest (lightest) path search.]]></help>
69 <citations> 69 <citations>
70 <citation type="doi">10.1093/bioinformatics/btg217</citation> 70 <citation type="doi">10.1093/bioinformatics/btg217</citation>
71 <citation type="doi">10.1093/bioinformatics/btu760</citation>
71 <citation type="doi">10.1093/bioinformatics/bti116</citation> 72 <citation type="doi">10.1093/bioinformatics/bti116</citation>
72 <citation type="doi">10.1093/bioinformatics/btu760</citation>
73 </citations> 73 </citations>
74 </tool> 74 </tool>