InChI – Cooperation project on machine readability of chemical structures and reactions
In a cooperation with InChI Trust, we work on the generation and further development of the InChI - the International Chemical Identifier developed by IUPAC and the InChI Trust. The Beilstein-Institut is directly supporting the InChI Trust with in-kind developer support to further extend the InChI. Our aim is to integrate the InChI into the Beilstein Journal of Organic Chemistry - this is pioneering work in the world of scientific publishing.
At the moment, the Beilstein Journals – like all the all other chemistry journals – face the problem that chemical structures are stored as graphics or text and are not handled as chemical structures. This prevents any user experience based on the chemical properties of these structures. The goal is to create a semi-automated process to extract, convert and finally embed this information in future published articles in a machine-readable form and to possibly deliver this information to third parties services and repositories, e.g., PubChem, ChemSpider or Chemotion.
By embedding machine readable chemical information from chemical structures, reactions and associated metadata, our articles can be enriched by making their chemical information findable, accessible, interoperable and reusable (FAIR).
