CHEBI Classification Programs
Project description
C3PO: CHEBI Classification Programs Ontology
Learning classification programs to categorize SMILES strings into CHEBI classes.
See Slides
Usage
pip install c3p
c3po -x "CC1=CC=C(C=C1)C1=C(C#N)C2=NC3=CC=CC=C3N2C(N)=C1C#N"
Learning Programs
All code in Notebook
Example generated programs
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