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Upgrade for w3id PURLs
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jsimonclark authored Dec 4, 2023
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# Contributor Guidelines
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<!-- markdownlint-disable MD033 -->
[![DOI](https://zenodo.org/badge/697870611.svg)](https://zenodo.org/doi/10.5281/zenodo.10254978)

# Chemical Substance Domain Ontology

## Overview

### Projects
The Chemical Substance Domain Ontology is a specialized ontology designed to provide persistent machine-readable identifiers for chemical substances within the broader context of the Elementary Multiperspective Materials Ontology (EMMO). It plays a crucial role in enhancing the semantic representation of chemical entities and their relationships within materials science and related domains.

* [BIG-MAP](http://www.big-map.eu/); Grant Agreement No: 957189 <img src="bigmap.png" alt="BIG-MAP" width="30">
### Integration with EMMO

The primary purpose of the Chemical Substance Domain Ontology is to seamlessly integrate chemical substances into the EMMO ontology ecosystem. EMMO serves as the top-level ontology for materials science and modeling, providing a standardized framework for describing materials, processes, and phenomena. By establishing a domain ontology for chemical substances, we bridge the gap between materials modeling and chemistry, ensuring consistent and interoperable knowledge representation.

### Persistent Identifiers

This ontology assigns persistent machine-readable identifiers to chemical substances. These identifiers are essential for accurate referencing and linking of chemical data, ensuring data consistency, and facilitating data exchange and interoperability among various tools and systems. It includes annotations to other sources of information including [PubChem](https://pubchem.ncbi.nlm.nih.gov/) and [Wikidata](https://www.wikidata.org/).

### Standardized Nomenclature

The ontology includes standardized nomenclature for chemical substances, relying on [IUPAC](https://iupac.org/what-we-do/nomenclature/) recommendations for naming coneventions. IUPAC is the universally-recognized authority on chemical nomenclature and terminology. This consistency in naming conventions enhances collaboration and data sharing.

## Key Features

- Seamless integration with the EMMO ontology.
- Provides persistent machine-readable identifiers for chemical substances.
- Standardized nomenclature for chemical entities.
- Facilitates data exchange and interoperability within the EMMO ecosystem.

## Usage

Researchers, domain experts, and developers within the materials science and chemistry communities can utilize the Chemical Substance Domain Ontology for various purposes, including:

- Incorporating consistent and standardized chemical substance information into their modeling and simulation activities.
- Enhancing data interoperability between materials modeling tools, databases, and platforms.
- Supporting research projects that require precise and standardized chemical entity representation.
- Building applications, databases, or knowledge graphs that leverage EMMO and require chemical substance information.

## Contributing

We welcome contributions from the community to enhance and expand the Chemical Substance Domain Ontology. If you have suggestions, improvements, or additional chemical substance information to contribute, please refer to our [Contribution Guidelines](CONTRIBUTING.md).

## Acknowledgements

<img src="documentation/images/flag_of_europe.png" alt="EU-Flag" width="100">

This project has received support from European Unition research and innovation programs, under grant agreement numbers:

* 957189 - [BIG-MAP](http://www.big-map.eu/)

## License

The Battery Interface Domain Ontology is released under the [Creative Commons Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/legalcode) license (CC BY 4.0).
The Chemical Substance Domain Ontology is released under the [Creative Commons Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/legalcode) license (CC BY 4.0).

[1]: https://github.com/emmo-repo/EMMO
[2]: https://www.big-map.eu
Please cite this content using the following DOI: [10.5281/zenodo.10254978](https://zenodo.org/doi/10.5281/zenodo.10254978)
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<catalog prefer="public" xmlns="urn:oasis:names:tc:entity:xmlns:xml:catalog">
<uri id="Imports Wizard Entry" name="http://emmo.info/emmo/1.0.0-beta5" uri="https://raw.githubusercontent.com/emmo-repo/EMMO/1.0.0-beta5/emmo.ttl"/>
<group id="Folder Repository, directory=, recursive=true, Auto-Update=false, version=2" prefer="public" xml:base="">
<uri name="http://emmo.info/chemicalsubstance/0.1.0/chemicalsubstance" uri="./chemicalsubstance.ttl"/>
<uri name="https://w3id.org/emmo/domain/chemicalsubstance/0.2.0/chemicalsubstance" uri="./chemicalsubstance.ttl"/>
</group>
</catalog>
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