chemkg/c3p
LLM-generated CHEBI classifiers
This project helps chemists and biochemists automatically classify chemical compounds based on their molecular structure (SMILES strings) into existing CHEBI categories. It takes a chemical structure as input and outputs a predicted CHEBI classification, simplifying the process of organizing and understanding new or unknown compounds. Researchers working with diverse chemical inventories or needing to quickly categorize novel molecules will find this useful.
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Use this if you need to rapidly and consistently assign CHEBI classifications to chemical compounds based on their SMILES strings.
Not ideal if you need to develop entirely new chemical ontologies or classify compounds into custom, non-CHEBI categories.
Stars
13
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4
Language
Python
License
—
Category
Last pushed
Aug 23, 2025
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