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Chemistry Domain Ontologies
Overview
The domain of chemistry ontologies encompasses the structured representation and formalization of chemical knowledge, including entities, reactions, processes, and methodologies. It plays a critical role in facilitating interoperability, data integration, and advanced computational modeling across diverse chemical disciplines. By providing a standardized framework, these ontologies enhance the precision and efficiency of information exchange and support the advancement of research and innovation in the chemical sciences.
Ontologies
| Ontology ID | Full Name | Classes | Properties | Last Updated |
|---|---|---|---|---|
| AFO | Allotrope Foundation Ontology (AFO) | 3871 | 318 | 2024-06-28 |
| ChEBI | Chemical Entities of Biological Interest (ChEBI) | 220816 | 10 | 01/01/2025 |
| CHEMINF | Chemical Information Ontology (CHEMINF) | 358 | 52 | None |
| CHIRO | CHEBI Integrated Role Ontology (CHIRO) | 13930 | 15 | 2015-11-23 |
| ChMO | Chemical Methods Ontology (ChMO) | 3202 | 27 | 2022-04-19 |
| FIX | FIX Ontology (FIX) | 1163 | 5 | 2020-04-13 |
| MassSpectrometry | Mass Spectrometry Ontology (MassSpectrometry) | 3636 | 12 | 12:02:2025 |
| MOP | Molecular Process Ontology (MOP) | 3717 | 11 | 2022-05-11 |
| NMRCV | Nuclear Magnetic Resonance Controlled Vocabulary (NMRCV) | 757 | 0 | 2017-10-19 |
| OntoKin | Chemical Kinetics Ontology (OntoKin) | 83 | 136 | 08 February 2022 |
| PROCO | PROcess Chemistry Ontology (PROCO) | 970 | 61 | 04-14-2022 |
| PSIMOD | Proteomics Standards Initiative (PSI) Protein Modifications Ontology (PSI-MOD) | 2098 | 4 | 2022-06-13 |
| REX | Physico-chemical process ontology (REX) | 552 | 6 | 2025-03-11 |
| RXNO | Reaction Ontology (RXNO) | 1109 | 14 | 2021-12-16 |
| VIBSO | Vibrational Spectroscopy Ontology (VIBSO) | 598 | 53 | 2024-09-23 |
Dataset Files
Each ontology directory contains the following files:
<ontology_id>.<format>- The original ontology fileterm_typings.json- Dataset of term to type mappingstaxonomies.json- Dataset of taxonomic relationsnon_taxonomic_relations.json- Dataset of non-taxonomic relations<ontology_id>.rst- Documentation describing the ontology
Usage
These datasets are intended for ontology learning research and applications.
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