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InChI

@inchi-trust.bsky.social
120 followers 63 following 34 posts

Molecular Identifier www.inchi-trust.org and www.iupac.org

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Sonja Herres-Pawlis @herreslab.bsky.social · 19/08/2026
Here comes the report on our Technical InChI meeting in july in Aachen .... a bit delayed due to the holiday season... @inchi-trust.bsky.social Thank you so much for support by @volkswagenstiftung.de , @nfdi4chem.de and @beilstein-institut.bsky.social !! #FAIRdata www.linkedin.com/feed/update/...
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InChI @inchi-trust.bsky.social · 13/08/2026
We have an InChI User Day ahead of the ACS Chicago meeting, come and join us on Friday 21st at the Hyatt Regency McCormick Place. Agenda and booking via www.eventbrite.co.uk/e/inchi-user...
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Egon Willigh☮gen 🟥 @egonw.mastodon.social.ap.brid.gy · 29/07/2026
happy that I can now follow the InChI Trust posts here on #mastodon too now! @inchi-trust.bsky.social #chemistry #cheminformatics #openscience
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InChI @inchi-trust.bsky.social · 23/06/2026
Our next monthly online InChI Discussion is on Thursday 25th June at 5pm UK time, discussing enhanced stereochemistry. Please join via our newsletter or via Eventbrite. Note a pause in the meetings for July/August, and we'll reschedule again in September.
eventbrite.co.uk
InChI Discussions
Monthly discussions on the InChI developments
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InChI @inchi-trust.bsky.social · 23/06/2026
InChI meeting at ACS Chicago - We’re planning an InChI user meeting / discussion session on Friday 21 August at the Hyatt Regency McCormick Place, Chicago. More details to follow, but look forward to seeing you there if you are able to join us.
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Sonja Herres-Pawlis @herreslab.bsky.social · 09/06/2026
New developments in the #InChI, please check out here: www.linkedin.com/feed/update/... #molecularstandards #FAIRdata @inchi-trust.bsky.social Thank you to @nfdi4chem.de @beilsteininstitut.hessen.social.ap.brid.gy and @volkswagenstiftung.de for support!
linkedin.com
#inchi #cheminformatics #molecularinformatics #inorganicchemistry #digitalchemistry #fairdata #openscience #chemicaldata #iupac | Sonja Herres-Pawlis
🎆***Advancing the Future of Chemical Identifiers: Technical InChI Meeting on Molecular Inorganics and Stereochemistry*** 🎆 On 1–2 June 2026, experts from academia, industry, software development, an...
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Sonja Herres-Pawlis @herreslab.bsky.social · 07/04/2026
Thank you to @volkswagenstiftung.de , @nfdi4chem.de and @beilsteininstitut.hessen.social.ap.brid.gy for funding the InChI developments! The inorganics InChI will be a beta release in due course!
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Sonja Herres-Pawlis @herreslab.bsky.social · 07/04/2026
News from the @inchi-trust.bsky.social : check out here: www.linkedin.com/feed/update/... #FAIRdata #cheminformatics
linkedin.com
#inchi #cheminformatics #fairdata #iupac #openscience #chemicaldata #standards | Sonja Herres-Pawlis
Two weeks ago, we had the pleasure of hosting the Technical InChI Meeting (March 25–26), bringing together contributors from across the global InChI community - both in person and online. Over two int...
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InChI @inchi-trust.bsky.social · 20/02/2026
Our next InChI Discussion will be on Thursday 26th February, at 5pm UK time - focusing on the Molecular Inorganic InChI. Sign up to scheduled meetings via the .ics file in the link, or search Eventbrite for InChI Discussions) www.inchi-trust.org/wp/download/... @herreslab.bsky.social @iupac.org
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InChI @inchi-trust.bsky.social · 09/01/2026
And with InChI article featured on the cover, Happy New Year all
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InChI @inchi-trust.bsky.social · 19/11/2025
Join our monthly online InChI Discussion session - the first on Thurs 27th Nov at 5pm UK time. Sign up via Eventbrite (one meeting at a time, sorry), or join our mailing list and we'll send a recurring .ics file www.eventbrite.com/e/inchi-disc... mailchi.mp/inchi-trust/... @iupac.org #chemsky
eventbrite.com
InChI Discussions
Monthly discussions on the InChI developments
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Beilstein-Institut @beilstein-institut.bsky.social · 02/09/2025
The preliminary agenda for the 4th Ontologies4Chem Workshop 2025 is online. The workshop will take place on 11–13 Nov, 2025 and is jointly organized by @nfdi4chem.de , NFDI4Cat, @psdi-uk.bsky.social  & @beilstein-institut.bsky.social .‬ Register NOW! tinyurl.com/bde3jkhz #NFDI4Chem #fairdata
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InChI @inchi-trust.bsky.social · 27/08/2025
Thanks to all the participants in the InChI Trust Board meeting yesterday, and to @herreslab.bsky.social for hosting in lovely Aachen
Hybrid board meeting photo, nine in person with four online contributors shown on screen behind
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InChI @inchi-trust.bsky.social · 15/08/2025
great to have you join, Christoph
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InChI @inchi-trust.bsky.social · 14/08/2025
Summary of the the highlights of our recent technical InChI meeting: stereochemistry in molecular inorganics, atropisomers, polymer InChI, our development philosophy, governance / implementation, and tools / APIs / reference data. www.inchi-trust.org/shaping-the-... #chemsky @herreslab.bsky.social
inchi-trust.org
Shaping the Future of InChI: Technical Meeting at RWTH Aachen, July 2025 - InChI Trust
Over two highly productive days, leading cheminformatics researchers, developers, and practitioners came together at RWTH Aachen University to drive forward the evolution of the IUPAC International Chemical Identifier (InChI). The focus was ambitious: tackling complex stereochemical representation in inorganics and polymers, exploring enhancements for atropisomerism, refining file format requirements, and charting a clear roadmap for […]
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Sonja Herres-Pawlis @herreslab.bsky.social · 23/07/2025
Day 2 of the #InChI Technical Meeting @rwth.bsky.social in Aachen focused on inorganic stereochemistry & Polymer-InChI development. Thanks to @volkswagenstiftung.de @nfdi4chem.de and @beilsteininstitut.hessen.social.ap.brid.gy for funding! Next-gen cheminformatics is taking shape! #OpenScience
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Sonja Herres-Pawlis @herreslab.bsky.social · 22/07/2025
Highly intense 1st day of our Technical InChI Meeting comes to an end - thank you so much for the productive energy by the people here and those joining online! And thanks for support by @volkswagenstiftung.de and @nfdi4chem.de ! The @inchi-trust.bsky.social advances #openscience !
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InChI @inchi-trust.bsky.social · 21/07/2025
"Collaborative development and sustainability of digital chemical data standards. DigSustain2: A community workshop, April 2025, Germany" Chemistry International, vol. 47, no. 3, 2025, pp. 45-48. doi.org/10.1515/ci-2... @iupac.org
An artfully arranged group of chemical standards experts, arrayed on a set of steps so everyone's face is visible. Background is a yellow-bricked building with red brick highlights
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Egon Willighagen @egonw.social.edu.nl.ap.brid.gy · 20/07/2025
heading tomorrow to the InChI Technical Exchange Meeting Summer 2025 in Aachen/DE Looking forward to it, and particularly talking about the InChI for inorganics and trying that in @wikidata :) See doi.org/10.26434/chemrxiv-2025-53n0w And also the nano InChI, see […]
social.edu.nl
Original post on social.edu.nl
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Sonja Herres-Pawlis @herreslab.bsky.social · 20/07/2025
We are looking very much forward to have you in #Aachen for the Technical #InChI Meeting! @inchi-trust.bsky.social
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InChI @inchi-trust.bsky.social · 26/06/2025
We're proposing to stop releasing new 32-bit versions of InChI, as Windows 10 goes out of support in Oct. If you still use the 32-bit components, or have concerns, please add to the poll below - with comments for concerns or continuing uses. github.com/IUPAC-InChI/... (needs github login)
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InChI @inchi-trust.bsky.social · 18/06/2025
Interesting set of challenges at the Pistoia Alliance meeting on persistent challenges in cheminformatics #chemsky www.pistoiaalliance.org/eventdetails...
pistoiaalliance.org
Persistent Challenges in Cheminformatics - Pistoia Alliance
The Pistoia Alliance is hosting an in-person event at the Royal Society of Chemistry to address Persistent Challenges in Cheminformatics. Despite significant technological progress, key hurdles remain...
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NMR-EPR-DNP-papers @nmr-epr-dnp-papers.bsky.social · 02/05/2025
#NMRchat Data accessibility in the chemical sciences: an analysis of recent practice in organic chemistry journals www.beilstein-journals.org/bjoc/art…
TOC Graphic
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Steffen Pauly @steffenpauly.bsky.social · 09/04/2025
Attending in a volunteer role for the first time, and a special experience for me in other regards as well. Many thanks to our hosts! InChI is on the move, watch or follow @inchi-trust.bsky.social for more information!
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InChI @inchi-trust.bsky.social · 09/04/2025
We held the InChI Trust Board meeting yesterday, thanks to colleages at Wiley in Berlin for hosting #chemsky 🧪 @herreslab.bsky.social
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Egon Willigh☮gen 🟥 @egonw.mastodon.social.ap.brid.gy · 06/04/2025
it seems I just released my first Pypi package every. pyBacting 2.14 with Bacting 1.0.5 is now out: pypi.org/project/pybacting/0.2.14 This gives you access in Python to (some of) the functionality of the Chemistry Development Kit, OPSIN, ChemSpider, PubChem, InChI, Excel files […]
mastodon.social
Original post on mastodon.social
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IUPAC @iupac.org · 03/04/2025
DigSustain2: #Workshop on Digital Data Standards Sustainability in the Chemical Sciences 🔢 @iupac.org #WorldFAIR @beilstein-institut.bsky.social @inchi-trust.bsky.social @nfdi4chem.de Center for the Transformation of #Chemistry 🗓️ 3 – 5 April 2025 📍 Delitzsch, Germany 🇩🇪 🌐 iupac.org/event/digita...
iupac.org
Digital Data Standards Sustainability in the Chemical Sciences - IUPAC | International Union of Pure and Applied Chemistry
DigSustain2: Workshop on Digital Data Standards Sustainability in the Chemical Sciences Community experts in digital standards development are converging to develop strategies for adoption and promoti...
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InChI @inchi-trust.bsky.social · 08/04/2025
InChI prototype for molecular inorganics #chemsky 🧪
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Sonja Herres-Pawlis @herreslab.bsky.social · 07/04/2025
🔬 Introducing the @inchi-trust.bsky.social Prototype for Molecular Inorganics 🌐 It expands the capabilities of the #InChI to finally support inorganic and organometallic compounds: iupac-inchi.github.io/InChI-Web-De... Thanks to @volkswagenstiftung.de @daliaeducation.bsky.social @nfdi4chem.de
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InChI @inchi-trust.bsky.social · 31/03/2025
Part II of our ex-board member and trustee Steffen Pauly's "Why I continue to support InChI" www.linkedin.com/posts/steffe...
linkedin.com
Why I continue to support InChI and the InChI Trust Part II: A digital… | Steffen Pauly
Why I continue to support InChI and the InChI Trust Part II: A digital standard for the common language of chemistry Today, I'd like to add to the success…
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InChI @inchi-trust.bsky.social · 05/03/2025
Call for abstracts for the InChI for Chemistry symposium at ACS Fall, part of the CINF programme. Deadline for abstract submission if March 31st. callforabstracts.acs.org/acsfall2025/...
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IUPAC @iupac.org · 14/03/2025
Day 2️⃣ of #IUPAC meeting at @rsc.org Burlington House 🗒️ Units, Symbols, and Terminology in the Physical Sciences in and for the Digital Era 🌐 We have speakers from @unisouthampton.bsky.social, project discussions with @codata-isc.bsky.social DRUM, @psdi-uk.bsky.social, @iupac.org Green & Gold Book.
IUPAC meeting group photo
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IUPAC @iupac.org · 13/03/2025
Units, Symbols, and Terminology in the #PhysicalSciences in and for the #Digital Era #IUPAC Meeting. 🗣️ Here we are, Jeremy Frey, Professor of Physical Chemistry, @unisouthampton.bsky.social, @psdi-uk.bsky.social, @iupac.org Green Book & Gold Book, introduced the meeting and the projects involved. ▶️
Professor Jeremy Frey
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InChI @inchi-trust.bsky.social · 11/03/2025
closing date 15 Mar for this
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InChI @inchi-trust.bsky.social · 05/03/2025
Post from our recent Trustee, Steffen Pauly: "Why I continue to support InChI and the InChI Trust Part I" #chemsky www.linkedin.com/posts/steffe...
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InChI @inchi-trust.bsky.social · 05/03/2025
Call for abstracts for the InChI for Chemistry symposium at ACS Fall, part of the CINF programme. Deadline for abstract submission if March 31st. callforabstracts.acs.org/acsfall2025/...
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Beilstein-Institut @beilsteininstitut.hessen.social.ap.brid.gy · 07/01/2025
📢 We are hiring! Apply NOW as #Cheminformatician – InChI and become part of our team! 🔗 www.beilstein-institut.de/en/about-… If you have experience developing tools for digital infrastructure in chemistry and want to contribute to an […] [Original post on hessen.social]
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InChI @inchi-trust.bsky.social · 23/01/2025
We'll be holding our next online InChI Discussion on Jan 29th 2025 at 6pm GMT - for details please sign up for our newsletter (mailchi.mp/inchi-trust/... if you're not already a subscriber) and joining details will be sent out beforehand. All welcome.
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Markus Sitzmann @markussitzmann.bsky.social · 14/01/2025
Applications Invited for CSA Trust Grants for 2025 csa-trust.org/2025/01/14/a...
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InChI @inchi-trust.bsky.social · 07/01/2025
Great opportunity for a cheminformatician to work at the @BeilsteinInstitut.hessen.social.ap.brid.gy with the wider InChI community.
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Sonja Herres-Pawlis @herreslab.bsky.social · 20/12/2024
#Xmas meeting of the @inchi-trust.bsky.social developer group! The prototype of the new inorganics InChI will be released for testing in january. Thanks to funding by @volkswagenstiftung.bsky.social @nfdi4chem.de @daliaeducation.bsky.social @BeilsteinInstitut.hessen.social.ap.brid.gy
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Sonja Herres-Pawlis @herreslab.bsky.social · 23/11/2024
InChI is now built for collaboration — and scale! Check out the article here: www.elsevier.com/connect/chem... @inchi-trust.bsky.social #cheminformatics Thank you for support to @volkswagenstiftung.bsky.social @daliaeducation.bsky.social @nfdi4chem.de @BeilsteinInstitut.hessen.social.ap.brid.gy !
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Greg Landrum @greglandrum.bsky.social · 22/10/2024
Save the date: I'm happy to announce that the 2025 RDKit UGM will take place in Prague, Czechia from 10-12 September. The organizers are Martin Šícho and Daniel Svozil from the University of Chemistry and Technology in Prague. Registration details will follow early next year.
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PSDI - Physical Sciences Data Infrastructure @psdi-uk.bsky.social · 11/11/2024
Registrations are now open for the Chemical and materials machine learning school 2025! 🎟️ Register and details here: www.psdi.ac.uk/event/cammls... 🚨 Last date to register: 1st December 2024 #cammls #psdi #machinelearning #training #mltraining
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DALIA Data Literacy Alliance @daliaeducation.bsky.social · 18/10/2024
DALIA is online 🌐🎉. Visit search.dalia.education & search in over 300 data literacy education resources. Stay tuned for more materials & features! #RDM #DALIA #NFDI
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NFDI4Chem @nfdi4chem.de · 11/10/2024
3. #Workshop: #Ontologies for #chemistry In 3 Afternoon Sessions on December 9, 10 & 11, this workshop brings together creators, curators and users of chemical ontologies to discuss their application opportunities for joint efforts on future developments. Infos: bit.ly/3XP5ctt #ontology
3. #Workshop: #Ontologies for #chemistry
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InChI @inchi-trust.bsky.social · 26/09/2024
#fairdata in chemistry! #linkingdata #chemsky #chemoinformatics
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NFDI4Chem @nfdi4chem.de · 09/09/2024
Summerbreak is over, the next Stammtisch is just around the corner. On September 27, Prof. Sonja Herres-Pawlis & Dr. Gerd Blanke will talk about updates from #InChI. bit.ly/486Rgzt #chemistry #researchdata #chemsky
Stammtisch 27.9.24: Updates from the InChI
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Sonja Herres-Pawlis @herreslab.bsky.social · 13/09/2024
The InChI becomes FAIR itself and moves towards inorganics! @inchi-trust.bsky.social #linkingdata #fairdata
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Sonja Herres-Pawlis @herreslab.bsky.social · 13/09/2024
Great week for the #InChI being present on 3 meetings with talks and posters: consortium meeting of @nfdi4chem.de in Halle , #FD_data in Oxford and #RDKitUGM in Zürich! Thanks for support: @volkswagenstiftung.bsky.social @daliaeducation.bsky.social @BeilsteinInstitut.hessen.social.ap.brid.gy !
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