The ioChem-BD platform provides a robust solution for the first part of the problem, translating these diverse output files into an unique format (CML) and providing a framework in which completely curated datasets can be shared with the community, enhancing reproducibility and interoperability. Regarding the relationships between data elements, the OntoRXN ontology was introduced as an organization scheme following the principles of semantic data, which established the core entities that are required to properly define a CRN and map it to the properties gathered from quantum chemical methods. Through the combination of ioChem-BD and OntoRXN, it becomes possible to define knowledge graphs (CRN-KGs): non-relational databases which contain all the information about a given reaction network.