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Chemical Entities of Biological Interest (ChEBI) |
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Overview |
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-------- |
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Chemical Entities of Biological Interest (ChEBI) is a dictionary of molecular entities |
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focused on ‘small’ chemical compounds. The term ‘molecular entity’ refers to any constitutionally |
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or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer, etc., |
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identifiable as a separately distinguishable entity. The molecular entities in question |
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are either products of nature or synthetic products used to intervene in the processes of living organisms. |
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ChEBI incorporates an ontological classification, whereby the relationships between molecular entities |
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or classes of entities and their parents and/or children are specified. |
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:Domain: Chemistry |
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:Category: Chemical Entities |
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:Current Version: 239 |
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:Last Updated: 01/01/2025 |
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:Creator: None |
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:License: Creative Commons 4.0 |
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:Format: OWL, OBO, JSON |
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:Download: `Chemical Entities of Biological Interest (ChEBI) Homepage <https://www.ebi.ac.uk/chebi/>`_ |
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Graph Metrics |
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------------- |
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- **Total Nodes**: 2433610 |
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- **Total Edges**: 6913389 |
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- **Root Nodes**: 609907 |
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- **Leaf Nodes**: 1528418 |
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Knowledge coverage |
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------------------ |
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- Classes: 220816 |
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- Individuals: 0 |
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- Properties: 10 |
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Hierarchical metrics |
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-------------------- |
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- **Maximum Depth**: 6 |
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- **Minimum Depth**: 0 |
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- **Average Depth**: 1.14 |
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- **Depth Variance**: 0.69 |
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Breadth metrics |
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------------------ |
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- **Maximum Breadth**: 908127 |
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- **Minimum Breadth**: 26 |
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- **Average Breadth**: 310545.00 |
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- **Breadth Variance**: 135103408992.57 |
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Dataset Statistics |
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------------------ |
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Generated Benchmarks: |
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- **Term Types**: 0 |
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- **Taxonomic Relations**: 1200620 |
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- **Non-taxonomic Relations**: 18607 |
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- **Average Terms per Type**: 0.00 |
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Usage Example |
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.. code-block:: python |
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from ontolearner.ontology import ChEBI |
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# Initialize and load ontology |
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ontology = ChEBI() |
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ontology.load("path/to/ontology.owl") |
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# Extract datasets |
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data = ontology.extract() |
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# Access specific relations |
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term_types = data.term_typings |
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taxonomic_relations = data.type_taxonomies |
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non_taxonomic_relations = data.type_non_taxonomic_relations |
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