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Tuesday, December 15, 2020

new: "Can an InChI for Nano Address the Need for a Simplified Representation of Complex Nanomaterials across Experimental and Nanoinformatics Studies?"

Table of Contents graphics.

I do not like questions as titles of articles: you either found an answer or not. In this case, the answer is likely a maybe. The paper milestones a discussion that started some years ago with the aim to create a standardized identifier for nanomaterials. Quite ambitious. I am happy to have been invited to contribute to this discussions and paper, but can hardly take much credit. The team dit an awesome job in capturing the complexities of representation of the chemistry of nanomaterials. Like polymers and mixtures, the chemistry is not as straightforward as organic chemicals (well, most of them anyway; hello five-coordinated carbon).

As visible in the table of contents graphics on the top right side of this blog post, and following habits of the InChI family, the NInChI draft has layers. That allows grouping of nanomaterials at different levels of details, pretty much like the InChI. Please do check out this article:

Lynch, I. et al. Can an InChI for Nano Address the Need for a Simplified Representation of Complex Nanomaterials across Experimental and Nanoinformatics Studies? Nanomaterials 2020, 10, 2493.

So, the next step is with the InChI Trust to respond to the core team. Here, I welcome comments too. For me, I will see if I can do something with the Chemistry Development Kit, if I can find the time :/

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