okay, busy day. multiple things to finish today. one, my script to extend and improve the chemistry in with better typing (e.g. ions), add mass (wikidata.org/wiki/Property:P20), and a bit more. The code still is in my online open notebook at github.com/egonw/ons-wikidata/ and soon with the new features

in case you are wondering for what kind of "things" the CXSMILES has been used in (until August 2), this is the type breakdown:

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So, at the meeting we continued exploring CXSMILES for compound classes (report pending, blog post chem-bla-ics.blogspot.com/2022) and I've been adding some more CXSMILES recently, for fatty acyl ACPs and polymers. For the last, there are ~160 candidate entries that can use CXSMILES too: w.wiki/5aTd

we just passed the 1.3M InChIKeys in scholia.toolforge.org/statisti

And stats from scholia.toolforge.org/chemical:

45 thousand mass spectra
31 thousand melting points
22 thousand crystal structures
1015 boiling points
231 pKa values
29 NMR spectra

a new lipid metabolism pathway in WikiPathways contains a lot of LIPID MAPS identifiers that we do not have in yet. Using Bacting I am adding a bunch of them.

4 years ago I used data from WikiPathways combined with and a JavaScript library for drawing chromosomes. this came up at the All Hands meeting. Code: github.com/egonw/wikipathways-

Results: egonw.github.io/wikipathways-c

it's Sunday morning. I'm adding the Dutch "nationaal chemische erfgoed" locations to : w.wiki/5PRB

where scientific journals are failing, scholars can pick up knowledge dissemination. Proud to have contributed to this awesome project about curation and dissemination of natural product knowledge in an approach, including the use of doi.org/10.7554/elife.70780

new paper: "CAS Common Chemistry in 2021: Expanding Access to Trusted Chemical Information for the Scientific Community" pubs.acs.org/doi/10.1021/acs.j

Where I worked with the @CASChemistry's Andrea Jacob on validating CAS registry numbers in and (still ongoing)

this morning I attended a FAIRplus Cookbook bookdash session. This cookbook has a growing number of short recipes on how to make your research output a bit more FAIR. faircookbook.elixir-europe.org I filed an official pull request for the recipe how to add external identifiers to and proposed a recipe on how to convert IUPAC names to InChIKeys (see WIP github.com/egonw/the-fair-cook)

I actually wrote this on Twitter for Twitter users interested in migrating to but maybe this tweetorial describes how to use to find co-authors on Mastodon :) threadreaderapp.com/thread/151 Have fun!

in the past week I have started annotating CAS registry numbers in with references to indicate CAS Common Chemistry w.wiki/3AGr This, in turn, is starting to be used to validate the CAS numbers in the English Wikidata (I can reports for other langauges too, tho)

happy to have contributed to this new work (preprint): "Open Natural Products Research: Curation and Dissemination of Biological Occurrences of Chemical Structures through " biorxiv.org/content/10.1101/20

new paper: "A protocol for adding knowledge to : aligning resources on human coronaviruses" bmcbiol.biomedcentral.com/arti (blog will follow)

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