InChI
@inchi-trust.bsky.social
📤 109
📥 60
📝 30
Molecular Identifier
https://www.inchi-trust.org
and
https://www.iupac.org
And with InChI article featured on the cover, Happy New Year all
add a skeleton here at some point
about 1 month ago
0
5
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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
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InChI Discussions
Monthly discussions on the InChI developments
https://www.eventbrite.com/e/inchi-discussions-tickets-1973119651994
3 months ago
1
9
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reposted by
InChI
Beilstein-Institut
5 months ago
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! https://tinyurl.com/bde3jkhz
#NFDI4Chem
#fairdata
0
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Thanks to all the participants in the InChI Trust Board meeting yesterday, and to
@herreslab.bsky.social
for hosting in lovely Aachen
6 months ago
0
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great to have you join, Christoph
add a skeleton here at some point
6 months ago
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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
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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 […]
https://www.inchi-trust.org/shaping-the-future-of-inchi-technical-meeting-at-rwth-aachen-july-2025/
6 months ago
0
7
6
reposted by
InChI
Sonja Herres-Pawlis
7 months ago
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
0
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reposted by
InChI
Sonja Herres-Pawlis
7 months ago
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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"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
7 months ago
0
1
1
reposted by
InChI
Egon Willighagen
7 months ago
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
https://doi.org/10.26434/chemrxiv-2025-53n0w
And also the nano InChI, see […]
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Original post on social.edu.nl
https://social.edu.nl/@egonw/114887254073006963
1
5
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reposted by
InChI
Sonja Herres-Pawlis
7 months ago
We are looking very much forward to have you in
#Aachen
for the Technical
#InChI
Meeting!
@inchi-trust.bsky.social
0
2
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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)
8 months ago
0
1
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Interesting set of challenges at the Pistoia Alliance meeting on persistent challenges in cheminformatics
#chemsky
www.pistoiaalliance.org/eventdetails...
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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...
https://www.pistoiaalliance.org/eventdetails/persistent-challenges-in-cheminformatics/
8 months ago
0
4
1
reposted by
InChI
NMR-EPR-DNP-papers
10 months ago
#NMRchat
Data accessibility in the chemical sciences: an analysis of recent practice in organic chemistry journals
https://www.beilstein-journals.org/bjoc/articles/21/70
0
2
1
reposted by
InChI
Steffen Pauly
10 months ago
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!
add a skeleton here at some point
0
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We held the InChI Trust Board meeting yesterday, thanks to colleages at Wiley in Berlin for hosting
#chemsky
🧪
@herreslab.bsky.social
10 months ago
0
7
4
reposted by
InChI
Egon Willigh☮gen 🟥
10 months ago
it seems I just released my first Pypi package every. pyBacting 2.14 with Bacting 1.0.5 is now out:
https://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 […]
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Original post on mastodon.social
https://mastodon.social/@egonw/114289634106543240
1
5
1
reposted by
InChI
IUPAC
11 months ago
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...
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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...
https://iupac.org/event/digital-data-standards-sustainability-in-the-chemical-sciences/
1
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InChI prototype for molecular inorganics
#chemsky
🧪
add a skeleton here at some point
10 months ago
0
3
1
reposted by
InChI
Sonja Herres-Pawlis
10 months ago
🔬 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
2
24
8
Part II of our ex-board member and trustee Steffen Pauly's "Why I continue to support InChI"
www.linkedin.com/posts/steffe...
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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…
https://www.linkedin.com/posts/steffenpauly_why-i-continue-to-support-inchi-and-the-inchi-activity-7310331843952664577-7BiP?utm_source=share&utm_medium=member_desktop&rcm=ACoAAAAK2oEBuf7_ylj_XU-ayYU-3lTdUvuc5ng
11 months ago
0
2
1
reposted by
InChI
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/...
11 months ago
0
1
1
reposted by
InChI
IUPAC
11 months ago
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.
1
17
5
reposted by
InChI
IUPAC
11 months ago
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. ▶️
2
12
2
closing date 15 Mar for this
add a skeleton here at some point
11 months ago
0
0
0
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...
11 months ago
0
2
0
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/...
11 months ago
0
1
1
reposted by
InChI
Beilstein-Institut
about 1 year ago
📢 We are hiring! Apply NOW as #Cheminformatician – InChI and become part of our team! 🔗 https://www.beilstein-institut.de/en/about-us/jobs?M=y 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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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.
about 1 year ago
1
1
1
reposted by
InChI
Markus Sitzmann
about 1 year ago
Applications Invited for CSA Trust Grants for 2025
csa-trust.org/2025/01/14/a...
1
3
1
Great opportunity for a cheminformatician to work at the
@BeilsteinInstitut.hessen.social.ap.brid.gy
with the wider InChI community.
add a skeleton here at some point
about 1 year ago
0
1
0
reposted by
InChI
Sonja Herres-Pawlis
about 1 year ago
#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
0
11
2
reposted by
InChI
Sonja Herres-Pawlis
about 1 year ago
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
!
0
13
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reposted by
InChI
Greg Landrum
over 1 year ago
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.
0
50
25
reposted by
InChI
PSDI - Physical Sciences Data Infrastructure
over 1 year ago
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
0
3
3
reposted by
InChI
DALIA Data Literacy Alliance
over 1 year ago
DALIA is online 🌐🎉. Visit
search.dalia.education
& search in over 300 data literacy education resources. Stay tuned for more materials & features!
#RDM
#DALIA
#NFDI
0
10
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reposted by
InChI
NFDI4Chem
over 1 year ago
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
0
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#fairdata
in chemistry!
#linkingdata
#chemsky
#chemoinformatics
add a skeleton here at some point
over 1 year ago
0
3
0
reposted by
InChI
NFDI4Chem
over 1 year ago
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
0
7
5
reposted by
InChI
Sonja Herres-Pawlis
over 1 year ago
The InChI becomes FAIR itself and moves towards inorganics!
@inchi-trust.bsky.social
#linkingdata
#fairdata
0
3
2
reposted by
InChI
Sonja Herres-Pawlis
over 1 year ago
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
!
1
6
4
reposted by
InChI
Sonja Herres-Pawlis
over 1 year ago
This publication will be presented by Dr. Gerd Blanke in
#Oxford
at the Faraday Discussion "Data-driven discovery in the chemical sciences"
rsc.org/events/detai...
on wednesday 12th sept!
@inchi-trust.bsky.social
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Data-driven discovery in the chemical sciences Faraday Discussion
https://rsc.org/events/detail/76887/
0
1
1
reposted by
InChI
Sonja Herres-Pawlis
over 1 year ago
🚀 Making InChI More FAIR: A Milestone for Inorganic Chemistry! 🌍 Publication just out in Faraday Discussions :
pubs.rsc.org/en/content/a...
#chemoinformatics
Thank you for funding to
@volkswagenstiftung.bsky.social
,
@nfdi4chem.de
and
@daliaeducation.bsky.social
!
@inchi-trust.bsky.social
2
6
4
reposted by
InChI
Rich Kidd
over 1 year ago
ChemRxiv preprint "Making the InChI FAIR and sustainable by moving to open-source on GitHub"
doi.org/10.26434/che...
@inchi-trust.bsky.social
#chemsky
🧪
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Making the InChI FAIR and sustainable by moving to open-source on GitHub
The InChI (International Chemical Identifier) standard stands as a cornerstone in chemical informatics, facilitating the structure-based identification and exchange of chemical compounds across variou...
https://doi.org/10.26434/chemrxiv-2024-w6kws-v2
0
9
5
reposted by
InChI
Rich Kidd
over 1 year ago
Video of the InChI technical status from July 2024 now up:
www.youtube.com/watch?v=1S5h...
#chemsky
@inchi-trust.bsky.social
🧪
add a skeleton here at some point
1
4
2
Two days of intensive thinking and discussing technical details and the next steps for the InChI! Inorganics will be solved in due course. Next steps are planned for stereochemistry, RInChI, MInChI and polymerInChI !
@volkswagenstiftung.bsky.social
@nfdi4chem.de
@daliaeducation.bsky.social
over 1 year ago
0
5
2
The technical InChI Meeting has just started in
[email protected]
! Our technical director Dr. Gerd Blanke gives an overview on the current status. The recording will we made available later. Thanks for funding to
@volkswagenstiftung.bsky.social
@nfdi4chem.de
and
@daliaeducation.bsky.social
!
over 1 year ago
0
5
2
Join online this Wednesday at 2 pm CET!
add a skeleton here at some point
over 1 year ago
0
1
2
reposted by
InChI
Rich Kidd
over 1 year ago
InChI version 1.07 is approved. Now on GitHub, with MIT license - fully tested for back compatibility, many bugfixes, and a foundation for future extension and maintenance. Thanks to all for this transformational step in development.
@inchi-trust.bsky.social
#chemsky
🧪
@herreslab.bsky.social
0
12
5
reposted by
InChI
Rich Kidd
over 1 year ago
For an overview of recent developments in InChI, join our virtual call 24 July, 2 pm CET. Fresh developments for organometallics, inorganics, and application InChIs such as Reaction InChI, NanoInChI, Mixtures InChI….
www.nfdi4chem.de/event/techni...
@inchi-trust.bsky.social
@herreslab.bsky.social
🧪
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Technical InChI Meeting - General & Status Overview - NFDI4Chem
Do you would like to get an overview over recent developments in the InChI? Want to stay tuned to modern molecular representations enabled by IUPAC? Then join our virtual overview […]
https://www.nfdi4chem.de/event/technical-inchi-meeting/
0
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