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Chemical Information Ontology (CHEMINF) |
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Overview |
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-------- |
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The chemical information ontology (cheminf) describes information entities about chemical entities. |
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It provides qualitative and quantitative attributes to richly describe chemicals. |
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Includes terms for the descriptors commonly used in cheminformatics software applications |
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and the algorithms which generate them. |
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:Domain: Chemistry |
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:Category: Chemistry |
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:Current Version: 2.1.0 |
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:Last Updated: None |
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:Creator: Egon Willighagen, Nina Jeliazkova, Ola Spjuth, Valery Tkachenko |
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:License: Creative Commons 1.0 |
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:Format: OWL |
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:Download: `Chemical Information Ontology (CHEMINF) Homepage <https://terminology.tib.eu/ts/ontologies/CHEMINF>`_ |
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Graph Metrics |
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- **Total Nodes**: 1467 |
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- **Total Edges**: 2837 |
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- **Root Nodes**: 213 |
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- **Leaf Nodes**: 435 |
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Knowledge coverage |
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- Classes: 358 |
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- Individuals: 0 |
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- Properties: 52 |
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Hierarchical metrics |
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-------------------- |
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- **Maximum Depth**: 16 |
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- **Minimum Depth**: 0 |
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- **Average Depth**: 1.73 |
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- **Depth Variance**: 9.21 |
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Breadth metrics |
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- **Maximum Breadth**: 213 |
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- **Minimum Breadth**: 1 |
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- **Average Breadth**: 29.24 |
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- **Breadth Variance**: 3411.59 |
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Dataset Statistics |
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Generated Benchmarks: |
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- **Term Types**: 0 |
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- **Taxonomic Relations**: 594 |
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- **Non-taxonomic Relations**: 1 |
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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 CHEMINF |
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# Initialize and load ontology |
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ontology = CHEMINF() |
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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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