.. sidebar::

    .. list-table:: **Ontology Card**
       :header-rows: 0

       * - **Domain**
         - Chemistry
       * - **Category**
         - Chemistry
       * - **Current Version**
         - None
       * - **Last Updated**
         - 2021-12-16
       * - **Creator**
         - None
       * - **License**
         - Creative Commons 4.0
       * - **Format**
         - owl
       * - **Download**
         - `Download Reaction Ontology (RXNO) <https://github.com/rsc-ontologies/rxno>`_

Reaction Ontology (RXNO)
========================================================================================================

The Reaction Ontology (RXNO) is a specialized ontology that provides a comprehensive vocabulary for representing organic chemical reactions. It includes over 500 classes that describe named reactions, such as the Diels–Alder cyclization, and their associated mechanisms. RXNO enables the semantic annotation of chemical reaction data, facilitating data sharing, integration, and advanced querying in cheminformatics and organic chemistry research. By standardizing the representation of chemical reactions, RXNO supports the development of reaction databases, computational chemistry tools, and automated synthesis planning systems. The ontology also captures relationships between reactions, reactants, products, and catalysts, enabling detailed modeling of reaction networks.

**Example Usage**:
Annotate a reaction database with RXNO terms to specify reaction types, such as "RXNO:000001 (Diels–Alder reaction)," and link these reactions to their reactants, products, and catalysts.

Metrics & Statistics
--------------------------

.. tab:: Graph


    .. list-table:: Graph Statistics
        :widths: 50 50
        :header-rows: 0

        * - **Total Nodes**
          - 5676
        * - **Total Edges**
          - 14841
        * - **Root Nodes**
          - 845
        * - **Leaf Nodes**
          - 2924
    ::


.. tab:: Coverage


    .. list-table:: Knowledge Coverage Statistics
        :widths: 50 50
        :header-rows: 0

        * - **Classes**
          - 1109
        * - **Individuals**
          - 0
        * - **Properties**
          - 14

    ::

.. tab:: Hierarchy


    .. list-table:: Hierarchical Metrics
        :widths: 50 50
        :header-rows: 0

        * - **Maximum Depth**
          - 8
        * - **Minimum Depth**
          - 0
        * - **Average Depth**
          - 1.71
        * - **Depth Variance**
          - 1.67
    ::


.. tab:: Breadth


    .. list-table:: Breadth Metrics
        :widths: 50 50
        :header-rows: 0

        * - **Maximum Breadth**
          - 2230
        * - **Minimum Breadth**
          - 12
        * - **Average Breadth**
          - 623.00
        * - **Breadth Variance**
          - 588146.89
    ::

.. tab:: LLMs4OL


    .. list-table:: LLMs4OL Dataset Statistics
        :widths: 50 50
        :header-rows: 0

        * - **Term Types**
          - 0
        * - **Taxonomic Relations**
          - 1990
        * - **Non-taxonomic Relations**
          - 2
        * - **Average Terms per Type**
          - 0.00
    ::

Usage Example
----------------
Use the following code to import this ontology programmatically:

.. code-block:: python

    from ontolearner.ontology import RXNO

    ontology = RXNO()
    ontology.load("path/to/RXNO-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