BiNChE: a web tool and library for chemical enrichment analysis based on the ChEBI ontology. Moreno, P., Beisken, S., Harsha, B., Muthukrishnan, V., Tudose, I., Dekker, A., Dornfeldt, S., Taruttis, F., Grosse, I., Hastings, J., Neumann, S., & Steinbeck, C. BMC Bioinf, 16:56, 2015.
doi  abstract   bibtex   
Ontology-based enrichment analysis aids in the interpretation and understanding of large-scale biological data. Ontologies are hierarchies of biologically relevant groupings. Using ontology annotations, which link ontology classes to biological entities, enrichment analysis methods assess whether there is a significant over or under representation of entities for ontology classes. While many tools exist that run enrichment analysis for protein sets annotated with the Gene Ontology, there are only a few that can be used for small molecules enrichment analysis. We describe BiNChE, an enrichment analysis tool for small molecules based on the ChEBI Ontology. BiNChE displays an interactive graph that can be exported as a high-resolution image or in network formats. The tool provides plain, weighted and fragment analysis based on either the ChEBI Role Ontology or the ChEBI Structural Ontology. BiNChE aids in the exploration of large sets of small molecules produced within Metabolomics or other Systems Biology research contexts. The open-source tool provides easy and highly interactive web access to enrichment analysis with the ChEBI ontology tool and is additionally available as a standalone library.
@Article{moreno15binche,
  author    = {Moreno, Pablo and Beisken, Stephan and Harsha, Bhavana and Muthukrishnan, Venkatesh and Tudose, Ilinca and Dekker, Adriano and Dornfeldt, Stefanie and Taruttis, Franziska and Grosse, Ivo and Hastings, Janna and Neumann, Steffen and Steinbeck, Christoph},
  title     = {{BiNChE}: a web tool and library for chemical enrichment analysis based on the {ChEBI} ontology},
  journal   = {BMC Bioinf},
  year      = {2015},
  volume    = {16},
  pages     = {56},
  abstract  = {Ontology-based enrichment analysis aids in the interpretation and understanding of large-scale biological data. Ontologies are hierarchies of biologically relevant groupings. Using ontology annotations, which link ontology classes to biological entities, enrichment analysis methods assess whether there is a significant over or under representation of entities for ontology classes. While many tools exist that run enrichment analysis for protein sets annotated with the Gene Ontology, there are only a few that can be used for small molecules enrichment analysis. We describe BiNChE, an enrichment analysis tool for small molecules based on the ChEBI Ontology. BiNChE displays an interactive graph that can be exported as a high-resolution image or in network formats. The tool provides plain, weighted and fragment analysis based on either the ChEBI Role Ontology or the ChEBI Structural Ontology. BiNChE aids in the exploration of large sets of small molecules produced within Metabolomics or other Systems Biology research contexts. The open-source tool provides easy and highly interactive web access to enrichment analysis with the ChEBI ontology tool and is additionally available as a standalone library.},
  doi       = {10.1186/s12859-015-0486-3},
  pmid      = {25879798},
  timestamp = {2018.08.20},
}

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