did not get around to doing this in June, but I'm releasing NanoJava 2.0.0, with NanoInChI support. Next up is BridgeDb 3.0.17 and Bacting 0.43 ... then I can demo NanoInchI calculation on Google Colab later this week

I can use some crowdsourcing help 2/ 

Step 2: lookup the "molNumber" from the URL, e.g. molNumber/10016819
Step 3: look for the wikidata link under "Additional information" and click it
Step 4: add the molNumber (e.g. 10016819) to Wikidata with the property P9405, e.g. as in wikidata.org/wiki/Q81986394#P9

Just one or two is fine! But the more the merrier!

Thank! 2/2

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I can use some crowdsourcing help from people (chemists particularly) interested in #wikidata: 

Wikidata has an external ID for the NMRShiftDB but the database is not CCZero so that I cannot automate adding the NMRShiftDB molecule IDs to Wikidata... but we can do this by hand. DuckDuckGo has a nice list:


Step 1: open one of the search hits 1/

@adafede outcome, scholia.toolforge.org/topic/Q1 is the true teixobactin (well, according to our validation against databases like CAS)

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doing some stereochemistry curation with @adafede ... which is the stereoisomer matching the name ...

huge news for chemists interested in ! "Wikidata now escapes SMILES and CXSMILES!" chem-bla-ics.blogspot.com/2022

Huge thankx to Nikki and Adriano to make this happen.

Brian Brettschneider:
' "... but the 1930s were warmer." A common refrain from climate change deniers. Here's a map showing where the 1930s (1930-1939) were warmer than the 2010s (2010-2019) using NASA GISTEMP data. Areas in orange were warmer in the 1930s.'


I did more curation in the past weeks. it has something rewarding.

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

I started traveling in April again. Second in May, and June was packed. Almost a month after my last travel, I am slightly feeling I am getting back in control of my schedule. The first 3-4 weeks was desperately keeping up with follow up items. Still behind. Hello student report grading.

This has been around a while, but if you want to automatically check external IDs and URLs of a @wikidata@twitter.com item as potential references, and add them with a single click, try my Referee script:


after way too long debugging I pinpointed the bug (deleting distributed material is evil. Yes, looking at you Eclipse).

But it looks we're back in business. Now I only need to get pybacting working again too.

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