Our open-access review in Angewandte Chemie Novit is out! ML in organic chemistry can feel overwhelming, so we wrote a practical guide to help chemists actually solve synthesis problems today - no heavy algorithm talk needed: onlinelibrary.wiley.com/doi/10.1002/... #machinelearning #compchem

Machine Learning for Synthetic Organic Chemistry: Methods, Applications, and Best Practices

Artificial intelligence (AI) and machine learning (ML) are increasingly reshaping experimental chemistry. This review maps the challenges of synthetic organic chemistry to modern digital tools that c...

onlinelibrary.wiley.com

The Glorius Group #MachineLearning is at #AI4XAccelerate2026 in Singapore! 🇸🇬 Two talks still to come Thu 18 Jun: MaikNiedziella (15:30, GC/MS Structure Elucidation) & Jan Spies (17:15, PU Learning). Plus posters 1.23, 2.8 at the Wed and 1.27 at the Thu session! 🤖🧪

"Positivity is All you need" – at least for finding negative data! How negative data improves your models is shown in our newest publication in @jacs.acspublications.org: doi.org/10.1021/jacs... Great team effort by @boser-florian.bsky.social and @jan-sp.bsky.social

Train your models for failure! That's the key to robust prediction📈 We use spy🕵️based PU learning to teach models what doesn't work, even without "negative" data🎉 Great to share this work with amazing @jan-sp.bsky.social and @gloriusfrank.bsky.social !

Glorius Group@gloriusgroup.bsky.social · 11mo ago

📉 No negatives in your dataset? We’ve got you covered! Check out our new ChemRxiv preprint on spy-based Positive–Unlabeled Learning 🕵️ with Florian Boser & Jan Spies. 👉 chemrxiv.org/engage/chemr...

@boser-florian.bsky.social had a great time presenting at the 5-HT Chemistry & Health Innovators Club in Karlsruhe! Thanks to Alex Boeser & Corinna Herrmann for the inspiring program. Highlight: touring the Bräse group’s ChemASAP self-driving labs at @kit.edu! #automation #chemistry

There you go… M.Reiher: “DFT is dead” 😵 #CompChem #ChemSky

Fantastic opportunity to join us in the @gloriusgroup.bsky.social! We work on exciting projects in @spp2363.bsky.social, developing novel #ML methods and immediately testing their applicability in our own wet labs next door! I look forward to working with you!

Frank Glorius@gloriusfrank.bsky.social · last yr.

JOB ALERT! 🚨MOLECULAR MACHINE LEARNING 2️⃣ fully funded PhD positions🚀🎓 are available in the @gloriusgroup.bsky.social associated with the German Priority Program @spp2363.bsky.social Your profile: - MSc in chemistry (knowledge of computational methods) or data science. - Passion for science. 🙏RT

What a catch! 🎣 Huge congratulations to @boser-florian.bsky.social for winning the first place poster prize at this year’s @accelerationc.bsky.social Conference in Toronto awarded by @digital-discovery.rsc.org! 🥇 Thanks to the judges & organizers! #Accelerate2025 doi.org/10.1039/D4DD...

Digital Discovery@digital-discovery.rsc.org · last yr.

Florian Boser (@boser-florian.bsky.social, @gloriusgroup.bsky.social) receives the best poster award from Digital Discovery at the 2025 Accelerate Conference for "Calibration-Free Quantification and Open Source Data Analysis for High-Throughput Reaction Screening". Join us in congratulating Florian!

Florian Boser (@boser-florian.bsky.social, @gloriusgroup.bsky.social) receives the best poster award from Digital Discovery at the 2025 Accelerate Conference for "Calibration-Free Quantification and Open Source Data Analysis for High-Throughput Reaction Screening". Join us in congratulating Florian!

Glorius Group on tour in Toronto! 🇨🇦🧳 Happy to see our Data Science team discussing the lab of the future at #Accelerate2025 🦾🧪. Special thanks to all organizers from the @accelerationc.bsky.social! #Closingtheloop #Chemistry

We are recruiting a PhD student in machine learning for photocatalysis! In this project, we will collaborate with the group of Frank Glorius @gloriusgroup.bsky.social to develop predictive tools for energy-transfer-catalyzed photocycloadditions. Reposts appreciated! jobs.ethz.ch/job/view/JOP...

PhD position in machine learning for photocatalysis

jobs.ethz.ch

Join the Glorius Group at the intersection of cheminformatics, data science & synthetic chemistry! We use AI, HTE & HPC to advance catalysis & materials. PhD/Postdoc opportunities with funding available! Reach out via email if you're interested! 📩 #Cheminformatics #DataScience #Chemistry

Some exclusive behind the senes footage:

Very excited to unveil the newest addition to our research group this Friday 🤩! What better way to celebrate finishing your PhD than riding a dragon 🐉🔥? Incredible effort led by our Mother of Dragon @paulinahartmann.bsky.social! #PhDLife

Join the Glorius Group at the intersection of cheminformatics, data science & synthetic chemistry! We use AI, HTE & HPC to advance catalysis & materials. PhD/Postdoc opportunities with funding available! Reach out if you're interested! 📩 #Cheminformatics #DataScience #Chemistry

We're excited to join the Bluesky community! 👋🏻 And there is nothing better than starting with a great event - registration is still open for today's 7th International Mini-Symposium on #MolecularMachineLearning starting at 3 PM (UTC+1). Looking forward to seeing you there! 🚪: bit.ly/7thMML

Molecular Machine Learning Online-Symposium taking place tomorrow - start in 24h. Speakers: Heather KULIK, Fernanda DUARTE, Bingqing CHENG, Matt SIGMAN. Registration required: uni-ms.zoom-x.de/meeting/regi...

You want to get HTE yields (fast)?🚀 Check out our calibration-free quantification for HTE in Digital Discovery, featuring pyGecko 🦎—our open-source Python library for rapid and automated GC data analysis! doi.org/10.1039/D4DD... #HTE #Automation #Chemistry #pyGecko