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Andrii Kozytskyi

@nmrspectroscopy.bsky.social

https://linktr.ee/nmr_spectroscopy The author of the @nmr_spectroscopy blog on IG/X/TG/LI etc.

71 Posts79 Follower16 Folgt
Magnetic Resonance News@nmr900.bsky.social · 5d ago

The AI-powered NMR structure elucidation platform SpecXMaster has been officially launched www.chem.pku.edu.cn/rongzhu/news... SpecXMaster specxmaster.bohrium.com/chat #NMRchat 🧲 SpecXMaster Technical Report arxiv.org/pdf/2603.23101

THE ZHU GROUP

SpecXMaster enables chemists to determine molecular structures from experimental NMR data, returning ranked candidate structures together with a detailed elucidation report. In a head-to-head evaluation of 500 structure-elucidation cases, SpecXMaster correctly solved 77.8%, substantially outperforming leading general-purpose AI models (Gemini 3.1 Pro Preview at 44.8% and Claude Opus 4.7 at 35.0%).

chem.pku.edu.cn

Magnetic Resonance News@nmr900.bsky.social · 3mo ago

rt @nmrspectroscopy.bsky.social Tired of scrolling through old posts for that one specific NMR tip? 🧪 I’m organizing all my structure elucidation and NMR basics content into a curated home on Substack! Subscribe here: nmrspectroscopy.substack.com #NMRchat 🧲

NMR spectroscopy | Kozytskyi Andrii | Substack

A structured home for NMR spectroscopy insights: from fundamentals to advanced 2D techniques and unique datasets. Click to read NMR spectroscopy, by Kozytskyi Andrii, a Substack publication with hundr...

nmrspectroscopy.substack.com