InChI: open-source chemical structure representation algorithm

InChI QR Codes

InChI QR Codes

Working Group Chairs: Jeremy Frey and Richard Hartshorn

The InChI QR Code Working Group is examining development of a QR code (2D bar code) version of the InChI. This project aims to consult with industry/regulatory sector users to identify and prioritize additional information that could/should be included in the QR code to enhance the value and commercial utility of the QR InChI. Possibilities to be evaluated and elaborated upon include: health/safety information (hazard code and/or safety data URL); catalog code; batch number; inventory information; sample composition/purity.

This project is complementary to another user-focused project that is developing InChI for states and mixtures. That project is about the specificity and usefulness of the information being encoded in the InChI, while this one will focus on deployment and use at scale with key stakeholders globally.

A proof-of-principle implementation was made available:  www-rinchi.ch.cam.ac.uk/qrinchi. No feedback has been received.

A revised draft of the InChI QR code specification document, formulated as an IUPAC  Recommendation, was prepared and sent out for approval. The recommendation was then  revised and submitted to PAC where it is currently under review.