Presentation: ChEBI-N - An Updated Ontology-Based Chemical Enrichment Analysis Tool.

[mirandacarlsson]

Context

We have been working on an updated version of the tool BiNChE, which we are calling ChEBI-N (ChEBI eNrichment). We had started implementing it last workshop and had a few discussions about it. We would now like to present the new implementation and get feedback on it.

BiNChE is an ontology-based chemical enrichment analysis tool based on the ChEBI ontology. We wish to present the ChEBI-N, an updated version of the web tool that retains core functionality, including graph-based visualisations of enriched entities and multiple pruning strategies. This allows researchers to identify the most significant chemical classes related to their metabolites of interest, for example those associated with a specific disease state. We introduce two key updates. First, input metabolites are no longer restricted to ChEBI identifiers and can instead be submitted as SMILES strings, which are automatically mapped to a parent class if no direct ChEBI match exists. This broadens the range of supported compounds and lowers the barrier for users. Second, narrower, curated background populations are now available, improving the precision and biological relevance of enrichment results for specific metabolite sets. Together, these updates make ChEBI-N more accessible and analytically flexible for metabolomics research.

Expected outcome of the workshop

By the end of the session, we hope to have demonstrated ChEBI-N to the community and gathered feedback.

Prerequisites issues/tasks

No prerequisites

Implementation issues/tasks

For a talk. 20 minutes for the presentation and 10 minutes for the subsequent discussion.

[StroemPhi]

Thank you for this proposal @mirandacarlsson! We'd love to have you present this.