chebi

Access to Biological Web Services from Python.

Schema for chemistry ontology classes

LLM-generated CHEBI classifiers

A Bio2BEL package for converting Chemical Entities of Biological Interest (ChEBI) to BEL

Classify, cluster, and extract data using structured LLM outputs with validated models, consensus voting, and multithreading for efficient batch processing.

Predicting whether disease pathways are associated with Alzheimer's disease using data from UniProt, CheBi, KEGG and Reactome.

Integrate metabolomics datasets that do not share the same measured metabolites, by grouping metabolites into shared chemical classes (through the ChEBI ontology, RefMet, or ClassyFire) and scoring each class per sample.

ssCCA: single-sample chemical class analysis for cross-dataset LC-MS metabolomics integration (analysis code for the accompanying report).