Chemical Information Ontology (CHEMINF) ======================================================================================================================== Overview -------- The chemical information ontology (cheminf) describes information entities about chemical entities. It provides qualitative and quantitative attributes to richly describe chemicals. Includes terms for the descriptors commonly used in cheminformatics software applications and the algorithms which generate them. :Domain: Chemistry :Category: Chemistry :Current Version: 2.1.0 :Last Updated: None :Creator: Egon Willighagen, Nina Jeliazkova, Ola Spjuth, Valery Tkachenko :License: Creative Commons 1.0 :Format: OWL :Download: `Chemical Information Ontology (CHEMINF) Homepage `_ Graph Metrics ------------- - **Total Nodes**: 1467 - **Total Edges**: 2837 - **Root Nodes**: 213 - **Leaf Nodes**: 435 Knowledge coverage ------------------ - Classes: 358 - Individuals: 0 - Properties: 52 Hierarchical metrics -------------------- - **Maximum Depth**: 16 - **Minimum Depth**: 0 - **Average Depth**: 1.73 - **Depth Variance**: 9.21 Breadth metrics ------------------ - **Maximum Breadth**: 213 - **Minimum Breadth**: 1 - **Average Breadth**: 29.24 - **Breadth Variance**: 3411.59 Dataset Statistics ------------------ Generated Benchmarks: - **Term Types**: 0 - **Taxonomic Relations**: 594 - **Non-taxonomic Relations**: 1 - **Average Terms per Type**: 0.00 Usage Example ------------- .. code-block:: python from ontolearner.ontology import CHEMINF # Initialize and load ontology ontology = CHEMINF() ontology.load("path/to/ontology.owl") # Extract datasets data = ontology.extract() # Access specific relations term_types = data.term_typings taxonomic_relations = data.type_taxonomies non_taxonomic_relations = data.type_non_taxonomic_relations