This provisional recommendation discusses the ways of linking physical objects to digital information relevant to chemical entities, specifically those that can be described by the use of the IUPAC International Chemical Identifier (InChI). It makes recommendations on the form of the computer readable components of labels provided for chemicals and materials that are used on product/sample containers and on the associated documentation that is used when transporting these containers (either internally, or during export/import). The focus is on specification of the content of the 2D Quick Response (QR) bar codes required to describe the molecular content of the containers and link to digital resources to supplement that provided on a physical label. The necessary technical and (possible) business infrastructure necessary to support the use of the InChI and InChIKey for rapid recall of relevant information is considered and suggestions made.
Keywords: InChI, InChIKey, QR code, International Chemical Identifier
Public review ended 31 May 2022
IUPAC Recommendations published in PAC vol. 94, no. 10, 2022, pp. 1195-1206