iiinova — where your digital self keeps evolving

Mathias Christmann @christmann.bsky.social · 01/09/2026

The resolver also flags a significant number of cases where different compound identifiers are associated with identical compound names or #NMR passages, both in #preprints and in published material from multiple publishers #DataQuality (4/5)

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Mathias Christmann @christmann.bsky.social · 01/09/2026

A molecule can be described with different names. The tool links structures thus making it easier to connect #ChemicalData across your document collection. (3/5)

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Mathias Christmann @christmann.bsky.social · 01/09/2026

For example, a folder of 38 most recent @chemrxiv.org PDFs covering synthetic #chemistry (~500 MB) yields 1,453 structures, locally resolved on my laptop in under 30 seconds #ResearchSoftware (2/5)

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Mathias Christmann @christmann.bsky.social · 01/09/2026

An inspiring conference in St. Anton sparked a project: turning chemistry PDFs into a searchable, local knowledge base. The prototype extracts chemical names, resolves them to structures and links the results to their sources #Cheminformatics #ChemPython (1/5)

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Mathias Christmann @christmann.bsky.social · 29/11/2025

The "Ether Rim" 🔥 is an absolute staple of experimental lectures in Organic Chemistry and one of my favorites. Never gets old! 🧪 #ChemSky #RealTimeChem

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Mathias Christmann @christmann.bsky.social · 15/09/2025

Don’t miss Timothy Noël @tnoel82.bsky.social (University of Amsterdam) giving an online @gdch.de lecture organized by the Liebig-Vereinigung. #ChemSky Details and registration: gdch.app/event/from-b...

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Mathias Christmann @christmann.bsky.social · 08/09/2025

Beautiful blood moon over Berlin, captured from Drachenberg last night. #BloodMoon #Eclipse #NightSky #Berlin

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Mathias Christmann @christmann.bsky.social · 25/08/2025

Our collaboration with @riedellab.bsky.social @fubcp.bsky.social on photomediated C–H trifluoromethoxylation with bis(trifluoromethyl)peroxide has been published in @chemicalscience.rsc.org pubs.rsc.org/en/content/a... #OpenScience #FluorineChemistry #RadicalChemistry #ChemSky

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Mathias Christmann @christmann.bsky.social · 19/08/2025

Kids have a special eye for spotting the little things we often overlook. Challenge them to ‘find something cool’ and you will be amazed at what they discover.

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Mathias Christmann @christmann.bsky.social · 17/06/2025

Today, part of the team of the Institute of Chemistry and Biochemistry @fubcp.bsky.social enjoyed great food 🍽️ and discussions at Luise Dahlem before heading together to the university elections at FU Berlin. Thanks to everyone who joined for the wonderful gathering! #ChemSky #BiochemSky #CampusLife

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Mathias Christmann @christmann.bsky.social · 30/05/2025

Catch mass (m) & substance amount (n) errors in PDFs! This tool comes handy, but expect false positives for now. Link: huggingface.co/spaces/Match... Explore more #OpenChemTools: Accurate Mass: huggingface.co/spaces/Match... SI Check: huggingface.co/spaces/Match... #ChemPython #ChemSky

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Mathias Christmann @christmann.bsky.social · 04/04/2025

Gemini 2.5 Pro's reasoning on domain-specific topics is amazing (and a bit scary, too). Tested it with today’s Chemdl #182 (reaction scheme). The logical steps to the correct answer were spot on. Wow. #AI #ChemSky #LLM

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Mathias Christmann @christmann.bsky.social · 31/03/2025

Impressed by Gemini 2.5 Pro to create lecture material: "Can you write a python script that generates a ball and stick model of a rotating water molecule that also show the two planes of symmetry and the c2 axis in a semitransparent Fashion“ #AI #GeminiAI #ChemPython #ChemSky #SciVis @GoogleAI

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Mathias Christmann @christmann.bsky.social · 29/03/2025

A fantastic day celebrating my PhD advisor’s retirement with friends and the academic family. So many great memories! #ChemSky

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Mathias Christmann @christmann.bsky.social · 24/03/2025

Great to have Prof. Xiaoguang Lei of Peking University at FU Berlin for his talk, “Opportunities for Merging Chemical and Biological Synthesis”! #ChemicalBiology #Synthesis #ChemBioSky

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Mathias Christmann @christmann.bsky.social · 24/03/2025

Need to proofread a thesis or lengthy SI? 📄✨ Just drop your PDF into the SI-Check demo on Hugging Face! 👉 huggingface.co/spaces/Match... DM with feedback or suggestions and help making the tool better! #Proofreading #AcademicWriting #HuggingFace #OpenScience #ChemSky

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Mathias Christmann @christmann.bsky.social · 22/02/2025

Thanks to everyone on #ChemSky who shared suggestions via DM or in the comments on expanding 🧪 SI checking. It’s evolving, thanks to #vibecoding #ChemPython

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Mathias Christmann @christmann.bsky.social · 09/02/2025

Of course, you can search for the expressions (as I did for a small test set), but without reviewing the context, it is difficult to make a definitive decision. Maybe a neutral alert is appropriate.

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Mathias Christmann @christmann.bsky.social · 09/02/2025

Lab report grading got you down? 😩 We're building an automated feedback tool! Share your common lab report errors that drive you nuts as regular expression (regex) in combination with a comment line. Example: r'\b\d+(?:.\d+)?\s+ml\b' catches "ml" vs "mL". #ChemEd #LabLife #LLM #ChemSky #ChemPython

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Mathias Christmann @christmann.bsky.social · 26/01/2025

LLM-assisted tool generation is awesome. To extend the HRMS checker (doi.org/10.1021/acs....) to automated experimental checking, a peptide sequence parser function (ca. 200 lines of code) was generated in under 2 hours. #ChemSky

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Mathias Christmann @christmann.bsky.social · 23/01/2025

Fantastic talk, ‘Organic Chemistry to Shine Light on Biology,’ by Johannes Broichhagen (@broichhagenj.bsky.social) from the Forschungsinstitut für Molekulare Pharmakologie (FMP) in Berlin. For a comprehensive overview of his work, check out: doi.org/10.1002/anie... #ChemSky #ChemBioSky

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Mathias Christmann @christmann.bsky.social · 09/01/2025

Thx! This exercise focused on 3 aspects: 1. Identifying the longest chain, even when a shorter chain w/ multiple bonds is present 2. Ignoring multipliers (di-, tri-, tetra-) when alphabetizing substituents 3. Assigning configurations, especially with vinyl vs. quaternary carbon substituents

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Mathias Christmann @christmann.bsky.social · 08/01/2025

I think both names are okay. Here is what Perplexity finds:

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Mathias Christmann @christmann.bsky.social · 07/01/2025

Here’s a great exercise question combining multiple concepts for the IUPAC nomenclature section of an introductory organic chemistry course! #ChemSky

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Mathias Christmann @christmann.bsky.social · 03/01/2025

Hi Manuel, Happy New Year! You can use Decimer.ai by Christoph Steinbeck & team. Simply copy the structure from a screen or PDF, paste it into Decimer to get the SMILES, and then paste the SMILES into ChemDraw. #ChemSky

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Mathias Christmann @christmann.bsky.social · 09/12/2024

Good opportunity for a cross-generational visual pun in OC1, today #ChemSky

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Mathias Christmann @christmann.bsky.social · 07/12/2024

It feels like em dashes — are everywhere: e-mails, reviewer reports, social media posts… Just a coincidence, or is everything run through #ChatGPT these days? #ChemSky

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Mathias Christmann @christmann.bsky.social · 26/11/2024

Great talk "Tuning redox potentials in photocatalysis for challenging transformations" by Prof. Kirsten Zeitler of Uni Leipzig. Tomorrow, Prof. Anne-Marie Kelterer of TU Graz will give a presentation on “Photoinitiators for Radical Photopolymerization”

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Mathias Christmann @christmann.bsky.social · 24/11/2024

Does anyone have good chemistry-related test questions to assess the behavior of LLMs like #Gemini or #ChatGPT? #ChemSky

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Mathias Christmann @christmann.bsky.social · 13/11/2024

HRMS-Checker 2.0 #ChemPython #ChemSky now available on GitHub: github.com/match22lab/H...

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Mathias Christmann @christmann.bsky.social · 24/03/2024

Lorenz Wiese completed the #TotalSynthesis of the #Meroterpenoid #naturalproduct Cleistocaltone A, a #RSV #Inhibitor. Congrats, Lorenz! Now available on ChemRxiv: chemrxiv.org/engage/chemr...

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