BiNChE

BiNChE performs chemical class enrichment analysis using the ChEBI ontology to identify overrepresented or underrepresented classes of biologically relevant chemical entities in small-molecule datasets.

Key Features:

• Ontology-Based Analysis: Leverages the ChEBI Ontology to evaluate significant overrepresentation and underrepresentation of chemical entity classes.
• Analysis Modes: Supports Plain Analysis, Weighted Analysis, and Fragment Analysis, with Fragment Analysis utilizing the ChEBI Role Ontology or the ChEBI Structural Ontology.
• Annotation Linking: Uses ChEBI annotations to associate ontology classes with biological chemical entities for enrichment assessment.

Scientific Applications:

• Metabolomics: Facilitates interpretation of metabolomics datasets of small molecules by revealing enriched ChEBI classes.
• Systems biology and pathway analysis: Supports exploration of metabolic pathways and molecular functions by highlighting class-level chemical patterns within datasets.

Methodology:

Links ontology classes to biological entities through ChEBI annotations to enable assessment of significant overrepresentation or underrepresentation of ontology classes within datasets.