Specification of International Chemical Identifier (InChI) QR Codes for Labels on Chemical Samples

Provisional Recommendations are drafts of IUPAC recommendations on terminology, nomenclature, and symbols, made widely available to allow interested parties to comment before the recommendations are finally revised and published in IUPAC’s journal Pure and Applied Chemistry.

Abstract: This article 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

Access full text – return comments to the corresponding author: Richard M. Hartshorn <[email protected]>

Comments by 31 May 2022

See all  Provisional Recommendations currently under review.

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