classyfire

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Here are 3 public repositories matching this topic...

USEtox / PROVESID

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Access online services of chemical identifiers from Python

python pubchem smiles inchi opsin chebi inchikey casrn chemical-identifiers pubchem-api cas-common-chemistry classyfire

Updated Aug 4, 2026
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fritzhkh / ssCCA-analysis

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

bioinformatics metabolomics pathway-analysis chebi refmet classyfire

Updated Jul 27, 2026
Python

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.

bioinformatics reproducible-research data-integration metabolomics chebi refmet classyfire

Updated Aug 7, 2026
Python

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