📍 The project is based in Jena, Germany 🇩🇪 , and will run for five years. At least two postdoctoral and two PhD positions are available.

For questions, feel free to contact us — and please share this with anyone who might be interested. Thank you!

So once again: if you’re skilled in bioinformatics and/or machine learning, and you’re excited about developing innovative computational methods for analyzing small molecule mass spec data, please apply!

bio.informatik.uni-jena.de/mitarbeiteri...

🚨 A quick reminder: the PhD and postdoc positions within the ERC project #BindingShadows are still open!

We’ve just moved into a brand-new building, and during the transition our servers and website were occasionally down, meaning we might not have received some applications.

We moved! After several weeks of home office, we finally moved into our brand-new building!
Apologies for the occasional downtime of our servers and website over the past two months. Everything is back up and should run smoothly from now on!

Our web services have served a billion queries! 🎉
#CSI:FingerID has served 759 million queries, #CANOPUS 228 million, #MSNovelist 17 million. During the last 12 months, 3816 users were active. At present, we serve 1.2 million queries every day.

bio.informatik.uni-jena.de/2025/07/one-...

Clearly, we will not do that for one bioactivity or one protein, but for all of them in parallel.

Sounds interesting? Looking for a job? Stay tuned, as we will shortly start searching for PhD and postdoc candidates!
bio.informatik.uni-jena.de/jobs/

The clue is: The model is supposed to do that when the identity and structure of the molecule is not known; not known to us, not known to the person that measured the data, not known to mankind (aka novel compounds).

Excellent news: 𝐒𝐞𝐛𝐚𝐬𝐭𝐢𝐚𝐧 𝐰𝐢𝐥𝐥 𝐫𝐞𝐜𝐞𝐢𝐯𝐞 𝐚𝐧 #𝐄𝐑𝐂 𝐀𝐝𝐯𝐚𝐧𝐜𝐞𝐝 𝐆𝐫𝐚𝐧𝐭!

𝐁𝐢𝐧𝐝𝐢𝐧𝐠𝐒𝐡𝐚𝐝𝐨𝐰𝐬 will develop ML models to predict whether some query molecule has a particular bioactivity or is binding to a certain protein, where the only information we have about the query molecule is its tandem mass spectrum.

Times are changing but order matters: Transferable prediction of small molecule liquid chromatography retention times Thousands of publications on the prediction of small molecule retention times were published during the last decades. The ultimate goal is, without doubt, the transferable prediction of retention time...

A nice pre X-Mas gift: Our new preprint is online doi.org/10.26434/che... #metabolomics #lipidomics @boeckerlab.bsky.social @chemrxiv.bsky.social

SIRIUS 6.1.0 is here!
Improve your small molecule analysis workflow with a refreshed interface and streamlined processes.

Highlights:
🌈 New Color Scheme
⚡ Streamlined Workflows
🏠 Welcome Page Redesign
🔍 Improved Result Views

📥 Download SIRIUS 6.1.0 here: bio.informatik.uni-jena.de/software/sir...