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C3PO: CHEBI Classification Programs Ontology

Learning classification programs to categorize SMILES strings into CHEBI classes.

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Usage

pip install c3p
c3p -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

Guide to paper

Release files for c3p 0.5.0

For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.

Source distribution (sdist)

Source distribution for c3p 0.5.0
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c3p-0.5.0.tar.gz 1.8 MB Details

Built distribution (wheel)

Table of built distributions (wheels) for c3p 0.5.0
File Interpreter ABI Platform
c3p-0.5.0-py3-none-any.whl Python 3 none any Details

Total release size: 3.9 MB

Release files / c3p-0.5.0.tar.gz

Download URL c3p-0.5.0.tar.gz
Size 1.8 MB
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Release files / c3p-0.5.0-py3-none-any.whl

Download URL c3p-0.5.0-py3-none-any.whl
Size 2.1 MB
Tags Python 3
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Uploaded via twine/6.1.0 CPython/3.12.9

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Release history Release notifications | RSS feed

This release

0.5.0 This release

2 release files

0.4.0

2 release files

0.3.0

2 release files

0.2.0

2 release files

0.1.2

2 release files

0.1.1

2 release files

0.1.0

2 release files

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