#iupac

Taking part at the Global Women’s Breakfast 🎉 Many Voices, One Science. Our local theme is to hold space for new opportunities 🎈

iupac.org/gwb/

#GWB #GlWoBr #IUPAC

David GraylessDavidGrayless
2026-01-18

The (symbol: Da), or (symbol: u), is a unit of mass defined as ⁠1/12⁠ of the mass of an neutral atom of in its nuclear and electronic and . It is a . The word "unified" emphasizes that the definition was accepted by both and . The , denoted mu, is an atomic-scale reference mass, defined identically, but it is not a unit of mass.

Wir haben eine neue international anerkannte Maßeinheit: 1 Merz. 1 Merz ist definiert als kleinster Abstand zweier benachbarter Fettnäpfchen.

#iupac #merz #peinlich #kanzler #merztrittendlichzurück #brasilien #si #blamage #friedrich #schande

Getzler Lab at KenyonCollegeGetzlerChem@mstdn.science
2025-09-03

Maybe chemical adulthood begins when you realize nomenclature is really important. Anyway, IUPAC is seeking feedback on draft refinements of how polymerization reactions are named. The draft is here
iupac.org/wp-content/uploads/2
And feedback can be submitted here

cognitoforms.com/IUPAC1/IUPACP
#chemistry #nomenclature #IUPAC #polymer

Egon Willighagenegonw@social.edu.nl
2025-08-09

new blog: "One Million IUPAC names #4: a lot is happening" chem-bla-ics.linkedchemistry.i

"A lot is happening. If you have been following this project more closesly, you may have already seen some interesting updates, but I will post it here too."

replies to this post become blog comments.

#iupac #chemistry #openscience #chembl #beilstein

Egon Willighagenegonw@social.edu.nl
2025-08-08

Fwd: "Unleashing 4 million IUPAC names into the wild" chembl.blogspot.com/2025/08/un

"In support of Egon Willighagen's 'One Million IUPAC Names' project, we have just released more than 4 million IUPAC names text-mined from patents. Here are the details as listed on Zenodo:"

#cheminformatics #chemistry #iupac #openscience

2025-07-14

Congratulations to Stefan Grimme on receiving the Chemistry Europe Award! 🏅

He was honored at the Opening Ceremony of the IUPAC Conference in Kuala Lumpur for his groundbreaking contributions to theoretical and computational chemistry. The award was presented by Jan-Willem Toering (pictured left), Chemistry Europe Council Member and CEO of the KNCV.

chemistryviews.org/stefan-grim

#chemistry #chemistryviews #chemviews #iupac #chemistryeurope #iupac2025 #kncv

Jan-Willem Toering (KNCV) and Stefan Grimme (University of Bonn) during the Chemistry Europe Award vceremony
Egon Willighagenegonw@social.edu.nl
2025-06-09

new: 'One Million IUPAC names #3: the 200 thousand milestone and 1 million IUPAC names" doi.org/10.59350/6f7he-kxt56 chem-bla-ics.linkedchemistry.i

"I could not find the time earlier to report (reason), but three weeks ago we passed the fourth milestone release of the CCZero IUPAC names found in literature collection. This release contains 200026 IUPAC names, 168702 unique names, reflecting 116207 unique InChIKeys."

replies to this post become blog comments.

#chemistry #iupac #openscience

2D chemical depiction of a chemical structure with nine sugar-like rings from the longest IUPAC name found so far, with 626 characters in length.
Egon Willighagenegonw@social.edu.nl
2025-06-08

more literature on IUPAC name generation on this Scholia page: scholia.toolforge.org/topic/Q1

#iupac #chemistry

2025-03-19

📷 Photo courtesy of Brian Li, Editorial Board, Chemistry International, Dr. Andrew Shore, Royal Society of Chemistry and Agnes Jasinska, The University of Edinburgh

#PSDI #IUPAC #Units #PhysicalSciences #Chemistry #Materials #ResearchData #OpenData

2025-02-27

So...

Is it real, that the International Union for Pure and Applied Chemistry is asking $199 for a book that contains the correct terminology for analytical chemistry???

WTF?!

books.rsc.org/books/edited-vol

#chemistry #iupac #science #payWall

2025-02-25

hi #chemsky and #Fediverse, one has to have some goals, right? We think so too: we are going to collect 10M parsable and unique #IUPAC names as a unique CCZero dataset github.com/BlueObelisk/iupac-n

#openscience #chemistry

Screenshot of an issue tracker, with milestone goals for 10k, 50k, 100k, 500k, 1M, 2M, 5M, and 10M unique IUPAC names.
The Chemistry Development Kitcdk@fosstodon.org
2025-01-09

big new feature got merged into the main development branch today, the support for the reaction InChI, RInChI. The pull request is here: github.com/cdk/cdk/issues/1063

#chemistry #iupac #reaction #inchi #openscience #opensource

Egon Willigh☮gen 🟥egonw
2024-12-28

interesting progress: "STOUT V2.0: SMILES to IUPAC name conversion using transformer models" doi.org/10.1186/s13321-024-009

"The model was trained on a dataset of nearly 1 billion SMILES and corresponding IUPAC names, generated using OpenEye's Lexichem software. This new version achieves very high accuracy on test and benchmark datasets, demonstrating improved capability in producing longer IUPAC names with fewer errors overall."

Figure 1 from the article (CC-BY): "Workflow of SMILES to IUPAC name translator version 2.0"

It shows PubChem and ZINC15 as input data, the tokenization of the input SMILES and IUPAC names, send into a deep learning model, and can then translate ("infer") the name "ethanol" from the SMILES "CCO".
2024-12-15

When you buy used books, sometimes you learn about the copy’s history by markings on the inside. Here is one I received yesterday.

#usedbooks #IUPAC #terminology

2024-07-31

📣 Version 1.07 of the #InChI chemical identifier standard was approved by #IUPAC and the #InChI_Trust! It includes: rebuilt development and testing pipeline, better supporting maintenance and extension of the standard. We are glad to support this work!

inchi-trust.org/iupac-inchi-mo

Wendy Pattersonwendympatterson@mas.to
2024-07-30

Version 1.07 of the InChI chemical identifier standard was approved by #IUPAC and the #InChI_Trust and includes: rebuilt development and testing pipeline, better supporting maintenance and extension of the standard.

The @BeilsteinInstitut gladly supports this work!

More info: inchi-trust.org/iupac-inchi-mo

2024-07-28

Fit For Future: InChI Standard Moves to GitHub

Enhances transparency, collaboration, and reliability, supports future expansions, and promotes broader adoption of the International Chemical Identifier for linking chemical information across web sources

chemistryviews.org/fit-for-fut

#chemistry #chemistryviews #chemviews #inchi #IUPAC #Research

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