Steffen Neumann
Bioinformatics and Computational Metabolomics
- Out now! xcms in Peak Form: Now Anchoring a Complete Metabolomics Data Preprocessing and Analysis Software Ecosystem doi.org/10.1021/acs.... with Phillipine and @jorainer.bsky.social (EURAC), @metabomichael.bsky.social, Hendrik and Norman from @ipbhalle.bsky.social, @janstanstrup.bsky.social, et al.
- Project 14 here at the #BioHackEU25 will work to assess and improve the state of #mzTab-M for #Metabolomics over the next few days. Plus having fun meeting all the other attendees here near Berlin
- 🚀 We’ve launched the new MassBank! Now live at massbank.eu & massbank.jp — redesigned with a faster backend, better search, and powerful tools for exploring & sharing mass spectral data. Enjoy the fresh experience! Feedback and ideas welcome, please post them on github.com/MassBank/Mas...
- Zhixu Ni presenting LipidCXSMILES developed together with @egonw.mastodon.social.ap.brid.gy and #epilipidnet and #lipidmaps here at #MetSoc2025 bridging real lipid chemical structures, and the uncertainty because MS gives only so much structural hints.
- As mentioned in my talk yesterday at #MetSoc2025,@schymane@mstdn.social and myself offered a bottle of wine to the winners of #CASMI 2016 contest. Pleased to confirm eventual delivery of a fine Czech Merlot to www.linkedin.com/in/tobias-ki... for winningCategory 3: Full Information.
- Hi, in case your phone didn't pick up the QR code to the slides of my Hitch-Hikers Guide to Computational Metabolomics talk this morning at #Metabolomics2025, featuring #xcms, #massbank, not #metfrag but #CASMI and #MetFamily, please find them at doi.org/10.5281/zeno...
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