/solarchem-ontology

Ontology for representing photocatalysis, electrocatalysis and fotoelectrocatalysis experiments

Primary LanguageJupyter NotebookCreative Commons Attribution 4.0 InternationalCC-BY-4.0

SolarChem Ontology

Contributors: Ana Iglesias-Molina, Daniel Garijo, Victor de la Peña O'Shea, Laura Collado, Miguel Tecedor.

Past Contributors: Oier Beaskoetxea, Oscar Corcho.

Description

Ontology for the representation of execution of experiments of three kinds, photocatalysis, electrocatalysis and photoelectrocatalysis, mentioned in scientific papers. It enables describing how experiments has been conducted; under what conditions, using which inputs and the outputs obtained and measured, in order to analyze and reproduce the experiments mentioned in scientific articles. It reuses concepts from other ontologies such as the Bibliographic Ontology (BIBO) and schema.org to represent articles that define the experiments and their authors; Chemical Entities of Biological Interest (ChEBI) used to represent chemical elements, Ontology for Biomedical Investigations (OBI) for conditions in the experiments and Quantities, Units, Dimensions, and Types (QUDT) for quantities and units of measurement.

workflow

Structure

We include in this repository the resources related to the ontology development and publication, along with a corresponding knowledge graph instantiating the ontology with photocatalysis experiments:

  • ./docs: Releases of the documentation of the ontology.
  • ./queries: A Jupyter notebook that queries the knowledge graph to answer the requirements and competency questions.
  • ./ontology: OWL code for the four modules comprising the SolarChem ontology
  • ./requirements: Requirements and competency questions that the ontology must satisfy written in natural language.

Availability

The landing page of the ontology is accessible at https://w3id.org/solar/. Solarchem is divided in 4 modules:

  • The solarchem core module: https://w3id.org/solar/o/core
  • The SolarChem Photocatalysis module: https://w3id.org/solar/o/pc
  • The SolarChem Electrocatalysis module: http://w3id.org/solar/o/ec
  • The SolarChem Photoelectrocatalysis: http://w3id.org/solar/o/pec

All modules are available in a machine-readable manner with content negotiation. For example, to download a module in turtle, just issue the following command:

curl -sH "Accept:text/turtle"  -L https://w3id.org/solar/o/core

The corresponding Knowledge Graph can be queried via an SPARQL endpoint: https://graphdb.linkeddata.es/sparql

Acknowledgements

This resource has been created in collaboration with the IMDEA Energía institute of Madrid, as part of the research project SOLARCHEM 5.0: Towards Digital Transition in Solar Chemistry: AI-assisted robotized platform for the development of efficient photoelectrodes, corresponding to the call 2021 and reference: TED2021-130173B-C41, within the State Program to Promote Scientific-Technical Research and its Transfer (Strategic Projects Oriented to Ecological Transition and Digital Transition).