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Kjell Jorner

@valencekjell.com
1.1K followers 628 following 146 posts

Assistant Professor of Digital Chemistry at @ethzurich.bsky.social. Making chemistry more sustainable within NCCR Catalysis. Views my own. dcl.ethz.ch www.valencekjell.com

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Reposted by Kjell Jorner
Martin Rahm @rahmlab.bsky.social · 23/09/2026
PhD position at Chalmers University of Technology in 🇸🇪: computational materials design of carbon- and oxygen-based conductors! @chemjobber.bsky.social @thephdplace.bsky.social #PhDposition #CondensedMatter #CompChem #ChemSky #AcademicSky www.chalmers.se/en/about-cha...
chalmers.se
Vacancies
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Alán Aspuru-Guzik @aspuru.bsky.social · 21/09/2026
Come work for @thematterlab.bsky.social with @variniabernales.bsky.social ! See below!
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Ylva Ivarsson @ivarssonlab.bsky.social · 11/09/2026
Do you want to be my colleague? We are recruiting a tenured #Associate #Professor in #Biochemistry to the Department of Chemistry for Life Sciences at #Uppsala University. Deadline for application November 20. www.uu.se/en/about-uu/...
uu.se
Associate Professor in Biochemistry - Uppsala University
Associate Professor in Biochemistry, Department of Chemistry for life sciences, Uppsala University
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Rocío Mercado Oropeza @rociomer.bsky.social · 03/09/2026
Check out our recent study! now out in Digital Discovery
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Jan H. Jensen @janhjensen.bsky.social · 30/08/2026
New highlight: Rapid Generation of Transition-State Conformer Ensembles via Constrained Distance Geometry www.compchemhighlights.org/2026/08/rapi... #compchem
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Janani Durairaj (Jay) @ninjani.bsky.social · 28/08/2026
Some exciting news: I'm joining the University of Lausanne @unil.bsky.social @dbc-unil.bsky.social as an Assistant Professor next month 🎉 My group will work on context-aware deep learning for protein structure, interaction & design. Postdoc and PhD openings coming soon - keep an eye out!
compare, predict, design
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Glorius Group @gloriusgroup.bsky.social · 16/07/2026
Huge congratulations to Leon Schlosser on defending his PhD! From lab discussions to race days, it’s been a pleasure sharing the journey. EnTDecker is an amazing legacy to leave behind, and we can’t wait to see what you’ll build next. Wishing you all the best for your next chapter! 🏃🏻‍♂️🧪🚀 #PhDone
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Bettina Keller @bettinagkeller.bsky.social · 08/07/2026
📢 We're hiring a PhD student (4 years) in computational chemistry at Freie Universität Berlin. Research on molecular dynamics, molecular kinetics, rare events & machine learning. Apply by 3 Aug 2026: jobs.fu-berlin.de/job/Research... #CompChem
jobs.fu-berlin.de
Research assistant (praedoc) (f/m/d) DM-786
Research assistant (praedoc) (f/m/d) DM-786
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Kresten Lindorff-Larsen @lindorfflarsen.bsky.social · 23/06/2026
Come join the new Novo Nordisk Foundation Center for Protein Design as a group leader Cool science in a great scientific environment in wonderful and very family friendly Copenhagen There are two positions that can either be at TT assistant or associate prof level employment.ku.dk/tenure-track...
employment.ku.dk
Tenure-track Assistant Professor or Associate Professor of De novo Protein Design
The Novo Nordisk Foundation Center for Protein Design at the University of Copenhagen seeks to appoint two new group leaders in de novo protein design from 1 February 2027 or as soon as possible thereafter. These positions will be at the Assistant or Associate Professor level and associated with the Department of Biology (Faculty of Science) or the Department of Drug Design and Pharmacology (Faculty of Health and Medical Sciences).
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Michal Juríček @michaljuricek.bsky.social · 10/06/2026
#PhD position available in our group! 🙏 Share, recommend or apply! :-) For more info and to apply, follow this link: jobs.uzh.ch/job-vacancie... @chem.uzh.ch @juriceklab.bsky.social @snsf.ch #OpenPosition #PhDPosition #ApplyNow #JobOffer #JuricekLab
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Jan H. Jensen @janhjensen.bsky.social · 29/05/2026
New preprint: Chemically Intuitive Descriptors for Predicting C–H Borylation Regioselectivity doi.org/10.26434/che... #compchem with Rasmus Borup & @valencekjell.com
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Lukas Sigmund @lukasmsigmund.bsky.social · 13/04/2026
Do you need easy access to local atom or bond features? Then our new Python package BONAFIDE could be of interest to you. More than 550 descriptors are now just a few lines of simple Python code away. Check it out here: molecularai.github.io/atom-bond-fe...
molecularai.github.io
Atom & Bond Featurizer
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Olexandr Isayev 🇺🇦 🇺🇸 @olexandr.bsky.social · 08/04/2026
Glad to share our new work: RitS (Right into the Saddle): a generative model for direct transition state (TS) prediction. 📄 Paper: chemrxiv.org/doi/full/10.26… 🤠 Code: github.com/isayevlab/RitS • Flow-matching model with explicit stereochemistry control • Direct TS generation from SMILEs #compchem
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Rocío Mercado Oropeza @rociomer.bsky.social · 07/04/2026
New preprint with Chao Zhang's team at Uppsala University! We used GraphINVENT to design new rechargeable battery solvents de novo. 🧑‍💻 #chemsky Pre-print: doi.org/10.26434/che... Code and data: to be released
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Arne Elofsson @handle.invalid · 07/04/2026
Two (or more) PhD student positions are open with me in protein structure evolution (using AI). Please apply/spread the word. su.varbi.com/en/what:job/...
su.varbi.com
PhD student in Bioinformatics
The Department of Biochemistry and Biophysics   SciLifeLab ( SciLifeLab ) is a national center for molecular biosciences with a focus on health and environmental research. The center combines frontl
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Rocío Mercado Oropeza @rociomer.bsky.social · 19/02/2026
My university (Chalmers University of Technology in 🇸🇪) is recruiting an assistant professor in data-driven cell & molecular biology, funded by the DDLS program @scilifelab.se #chemsky #facultychemjobs The position comes with a nice start-up package www.chalmers.se/en/about-cha...
chalmers.se
Vacancies
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Johannes Margraf @jtmargraf.bsky.social · 16/02/2026
Hello bluesky, I'm a theoretical chemist at University of Bayreuth. My group works on atomistic modeling of energy materials with electronic structure methods and ML. I'm hoping to connect to other #compchem and #materials folks!
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Digital Chemistry Laboratory @dcl-ethz.bsky.social · 09/02/2026
Happy to see the fruits of Leon Schlosser’s research stay at the Digital Chemistry Laboratory published in @jacs.acspublications.org! 🎉
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Nessa Carson @supersciencegrl.co.uk · 03/02/2026
AstraZeneca is hiring in Predictive Science, Digital, and Automation and you even get my face on your screen. Being real, this is an awesome department to work in though #chemjobs #UKchemjobs #EUchemjobs www.linkedin.com/posts/nessac...
linkedin.com
Not 100% sure whether becoming *my* new colleague is a win or a threat, 😂 but the amazing PSDA group at AstraZeneca is looking for new faces to join a clever, fun, and interdisciplinary team! I… | Nes...
Not 100% sure whether becoming *my* new colleague is a win or a threat, 😂 but the amazing PSDA group at AstraZeneca is looking for new faces to join a clever, fun, and interdisciplinary team! I believ...
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COSMO Lab @labcosmo.bsky.social · 01/02/2026
Release candidate 3 of chemiscope 1.0 is out, with class and range based highlighting of points. Try it, break it, report it on github.com/lab-cosmo/ch...
Cluster highlights in chemiscope 1.0 RC3
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Robert Pollice @robpollice.mstdn.science.ap.brid.gy · 15/01/2026
Are you interested in any aspect of molecular chemistry? Come and joins us for the first Groningen Molecular Chemistry Symposium (GroMoChem): gromochem.web.rug.nl We have an excellent line-up of speakers, covering a broad range of topics. Additionally, if you are within 4 years of […]
mstdn.science
Original post on mstdn.science
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Rocío Mercado Oropeza @rociomer.bsky.social · 22/12/2025
🚨Just 1 week left to apply! Join us in Gothenburg and work on AI for polymer design.
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Evan Spotte-Smith (they/them) @ewcss.info · 19/12/2025
Come be my colleague @ucdchemistry.bsky.social! We're currently looking for an organic chemist (broadly defined) to start as a permanent (i.e., tenured) assistant professor. Job reference (www.ucd.ie/workatucd/jo...) is 019237. Due date Feb. 27, 2026 Reach out if you have questions!
Lecturer / Assistant Professor of Organic Chemistry, UCD School of Chemistry, Permanent

Applications are invited for a  permanent post of a Lecturer / Assistant Professor of Organic Chemistry within UCD School of Chemistry.

The successful candidate will have research interests in any area of Organic Chemistry, and these include, but are not limited to, the development of novel methods in synthetic chemistry, sustainability, supramolecular chemistry, natural products chemistry, green chemistry, catalysis, and industrial chemistry.
 
The candidate will contribute to our undergraduate and postgraduate taught programmes in particular, curriculum development of our BSc programmes in (a) Chemistry, (b) Medicinal Chemistry & Chemical Biology and (c) Chemistry with Environmental and Sustainable Chemistry. The candidate will supervise and perform cutting edge research and contribute to administration of the school.

95 Lecturer / Assistant Professor (above the bar) 2010 Salary Scale: €64,753 - €102,539 per annum.

Appointment will be made on scale and in accordance with the Department of Finance guidelines
 
Closing date: 12:00 noon (local Irish time) on 27/02/2026.

Applications must be submitted by the closing date and time specified. Any applications which are still in progress at the closing time of 12:00 noon (Local Irish Time) on the specified closing date will be cancelled automatically by the system. UCD are unable to accept late applications.
UCD do not require assistance from Recruitment Agencies. Any CV's submitted by Recruitment Agencies will be returned.

Note: Hours of work for academic staff are those as prescribed under Public Service Agreements. For further information please follow link below:
https://www.ucd.ie/hr/t4media/Academic%20Contract.pdf
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Marcel Swart @marcelswart.bsky.social · 16/12/2025
My colleague @silviaosuna.bsky.social has two fully funded #PhD positions available: 👇🏻👇🏻👇🏻👇🏻👇🏻👇🏻👇🏻👇🏻 www.linkedin.com/posts/s%C3%A...
linkedin.com
Two fully funded PhD positions (MSCA Doctoral Networks, Horizon Europe) at our group at IQCC, University of Girona (Spain) Many high-value molecules in pharma, agrochemicals, and materials rely on… |...
Two fully funded PhD positions (MSCA Doctoral Networks, Horizon Europe) at our group at IQCC, University of Girona (Spain) Many high-value molecules in pharma, agrochemicals, and materials rely on ch...
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Rocío Mercado Oropeza @rociomer.bsky.social · 15/12/2025
👉 Just 2 weeks left to apply to these positions in our team (AI Lab for Molecular Engineering) in Sweden. Come design polymers with us! To learn more about our team, please visit our group website: ailab.bio
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Glorius Group @gloriusgroup.bsky.social · 11/12/2025
🚀 Our Mini-Symposium on Molecular Machine Learning returns for its 8th Edition! 🤖 💻 🔗Register here: uni-ms.zoom-x.de/webinar/regi... 🗓 Date: January 15th, 2026 🕒 Time: 3:00 PM (UTC+1) 💻 Location: Online | Free of charge #MachineLearning #Chemistry #DataScience #SPP2363
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Rachel Crespo Otero @rcrespootero.bsky.social · 20/11/2025
I’m recruiting a PhD student through the UCL EPSRC Landscape Award (UELA) to work on machine learning models for excited-state properties in molecular organic crystals. 🔗 Project details: ucl-epsrc-dtp.github.io/2026-27-proj... 🔗 UELA scheme: www.jobs.ac.uk/job/DPF708/5...
ucl-epsrc-dtp.github.io
Developing Machine Learning Models for Excited States Properties in Molecular Organic Crystals
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Rocío Mercado Oropeza @rociomer.bsky.social · 01/12/2025
We are currently recruiting 2 PhD students to work on AI-driven polymer design and engineering in my team at Chalmers as part of our @erc.europa.eu project POLYGEN. 💻🧪🇸🇪 Please spread the word and share to potentially interested candidates! Apply by: Dec 28, 2025 www.chalmers.se/en/about-cha...
chalmers.se
Vacancies
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Alán Aspuru-Guzik @aspuru.bsky.social · 29/11/2025
Subscribe to The Matter Blotter to keep getting updates about our lab’s work. We are ramping up the substack to provide human-written accounts of what the papers are about! Check this week’s about our springs and sticks model by @realmantilla.bsky.social !
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The Matter Lab @thematterlab.bsky.social · 19/11/2025
Out now in JACS! We show that under typical Suzuki-Miyaura cross-coupling conditions, bulky ligands can promote palladium-catalyzed protodeboronation. 📜 pubs.acs.org/doi/full/10.... 🖥️ github.com/chertianser/... [1/5]
pubs.acs.org
Bulky Phosphine Ligands Promote Palladium-Catalyzed Protodeboronation
The Suzuki–Miyaura cross-coupling reaction is plagued by protodeboronation, an undesirable side reaction with water that consumes the boronic acid derivatives required for the cross-coupling reaction....
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Kjell Jorner @valencekjell.com · 18/11/2025
Leon from the @gloriusgroup.bsky.social visited us for 5 months last year to apply generative modeling to energy transfer catalyst discovery. Then he went home and they synthesized and tested his top candidates. Here's the results 🚀
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Evan Spotte-Smith (they/them) @ewcss.info · 13/11/2025
Come join me in Ireland @ucddublin.bsky.social @ucdchemistry.bsky.social! Help us understand the messiness of cross-talk in metal-ion batteries! #BattChat #NewPI #sustainability #electrochem
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Kjell Jorner @valencekjell.com · 09/11/2025
One of the last papers from my postdoc with @aspuru.bsky.social is now out. Led by the tireless @gkwt.bsky.social, it investigates chirality in text-based generative models. Includes a nice simulation-based benchmark task for circular dichroism that I think could be useful to the community.
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Well-tarred Flask 🇮🇹🇺🇦🇨🇦 @chemprofcramer.bsky.social · 05/11/2025
In the believe it or not category: The 3rd edition of Essentials of Computational Chemistry is, lo these 20 years later, under contract... 😮 (Here's hoping my co-authors, to whom I shall afford anonymity until the revised draft is delivered, survive what they signed up for! 😬)
Cover of the 2nd Edition of Essentials of Computational Chemistry
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Sam Blau @samblau.bsky.social · 04/11/2025
I'm hiring postdocs @berkeleylab.lbl.gov to drive cutting-edge research involving MLIPs, high-throughput workflows, chemical reaction networks, generative models, and open-source software dev. Full position description + application here: forms.gle/zePBZDmciXez... #Chempostdoc #AI4Science
forms.gle
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Kjell Jorner @valencekjell.com · 27/10/2025
Has anyone else noted an increased use of the word "usage"? Is this a ChatGPT thing? I also see "utilize" popping up more often.
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Viacheslav Borovitskiy @vabor112.bsky.social · 24/10/2025
I am hiring a fully-funded #PhD in #ML to work at the University of Edinburgh on 𝐠𝐞𝐨𝐦𝐞𝐭𝐫𝐢𝐜 𝐥𝐞𝐚𝐫𝐧𝐢𝐧𝐠 and 𝐮𝐧𝐜𝐞𝐫𝐭𝐚𝐢𝐧𝐭𝐲 𝐪𝐮𝐚𝐧𝐭𝐢𝐟𝐢𝐜𝐚𝐭𝐢𝐨𝐧. Application deadline: 31 Dec '25. Starts May/Sep '26. Details in the reply. Pls RT and share with anyone interested!
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Greg Landrum @greglandrum.bsky.social · 21/10/2025
Save the date! Next year's European #RDKit UGM will take place from 16-18 September in Darmstadt, Germany. Pre-registration will open in early 2026.
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Marwin Segler @marwinsegler.bsky.social · 16/10/2025
Do you want to invent the future of Chemistry with us? We‘re looking for a "Digital Native” Organic Chemist to join our team at Microsoft Research AI for Science. We offer an amazing environment where you can do deep research with passionate and talented colleagues to solve problems that matter! 1/2
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Michael Pittelkow @pittelkowlab.bsky.social · 09/10/2025
I have a fully funded PhD position available in my group in Copenhagen: candidate.hr-manager.net/ApplicationI...
candidate.hr-manager.net
PhD fellowship in Organic Synthesis and Supramolecular Chemistry
The Department of Chemistry at the University of Copenhagen invites applicants for a PhD fellowship in Organic chemistry with a particular focus on supramolecul
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Kjell Jorner @valencekjell.com · 09/10/2025
One nice aspect of the Nobel Prize that not everyone knows is that they actually publish a short scientific document explaining the contributions of the Prize winners. The one for MOFs can be found below. As such, we can actually do "peer review" of the prizes 🧐 www.nobelprize.org/prizes/chemi...
nobelprize.org
Nobel Prize in Chemistry 2025
The Nobel Prize in Chemistry 2025 was awarded jointly to Susumu Kitagawa, Richard Robson and Omar M. Yaghi "for the development of metal–organic frameworks"
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Kjell Jorner @valencekjell.com · 08/10/2025
Excellent Nobel Prize. My suggestion for next year: chemical engineering. Nobel himself was an engineer, and the prize awards achievements that "conferred the greatest benefit to humankind". Furthermore, the Prize should also be given to "improvements". When did that happen the last time?
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Alexandrova Lab @alexandrovalab.bsky.social · 03/10/2025
✨Exciting news - the Alexandrova Group is now on Bluesky!✨ Hello, friends on #chemsky and #compchemsky. We're glad to be here! Stay tuned for the latest #compchem 💻 research and news from the lab!
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Mario Krenn @mariokrenn.bsky.social · 02/10/2025
📢Several PhD and Postdoc positions in my group (focusing on AI for Scientific Discovery in Physics) at @unituebingen.bsky.social If you are excited about using AI to design new ways for observing the universe, please apply here: uni-tuebingen.de/en/128980#c2...
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Copéret Group @coperetgroup.bsky.social · 25/09/2025
Congrats to Colin and other awardees of the Talent Program of Catalysis and Sustainabile Chemistry prizes sponsored by Clariant. @ethz.ch
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Jenny Yang @chemjen.bsky.social · 23/09/2025
This is bonkers - in popular energy-related areas, 10 -15% of the TOTAL papers are reviews or perspectives @pubs.acs.org #ACSEnergyLetters Editorial: Should You Really be Writing A(nother) Review Manuscript? pubs.acs.org/doi/10.1021/...
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Jarvist Moore Frost @jarvist.bsky.social · 22/09/2025
I'm recruiting PhD students (Imperial Chemistry), for a >Jan 2026 start. 1) Designing antimicrobial peptides with machine learning and computational chemistry approaches 2) Machine learning surrogate quantum mechanical models (particularly Tight-binding and PPP) docs.google.com/document/d/1...
docs.google.com
2025-09_FrostGroupPhDAdverts
September 2025 Frost group PhD adverts Overview / TL;DR Introduction The Frost Research Group Motivation / Philosophy Eligibility Funding Notes How to apply Project 1: Machine learning and computati...
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Lucas Lang @llangresearch.bsky.social · 18/09/2025
I have an open PhD position. The exact topic is negotiable and can range from implementing new quantum-chemical methods in @orca-qc-official.bsky.social to computational studies of open-shell molecules. 🔗 Details: www.langresearch.org/open-phd-fel... Please share! #PhDposition #CompChem
langresearch.org
Open PhD Fellowship in Quantum Chemistry at TU Berlin – Lang Research Group
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Lukas Sigmund @lukasmsigmund.bsky.social · 18/09/2025
Now published in @angewandtechemie.bsky.social: Our hybrid QM/ML model for the prediction of the outcome of the aromatic thianthrenation reaction – with @peonor.bsky.social , @valencekjell.com, and many great colleagues from @astra-zeneca.bsky.social. onlinelibrary.wiley.com/doi/10.1002/...
onlinelibrary.wiley.com
Predicting Reaction Feasibility and Selectivity of Aromatic C─H Thianthrenation with a QM–ML Hybrid Approach
This paper presents the open-source machine learning model PATTCH, which predicts the reaction feasibility and site-selectivity of aromatic C─H thianthrenation reactions. The model was built using bo....
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