Mathias Christmann

Mathias Christmann

@christmann.bsky.social

Professor of Chemistry 👨‍🔬 FU Berlin https://www.bcp.fu-berlin.de/en/chemie/chemie/forschung/OrgChem/christmann/index.html Loves Tool & learns Python #ChemSky

1.7K followers1.7K following66 posts

Mathias Christmann
@christmann.bsky.social

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

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)

Mathias Christmann
@christmann.bsky.social

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)

Mathias Christmann
@christmann.bsky.social

Congrats Christian! Well deserved.

CEStieger.bsky.social@cestieger.bsky.social

I am excited to share that our manuscript on vinyl phosphonamidates (VPAs) as latent electrophiles for cysteine targeting has just been published in the Journal of the American Chemical Society. doi.org/10.1021/jacs... Thanks to my great colleagues who help me shape this project!

doi.orgModular Vinyl Phosphonamidates for Cysteine-Directed Protein TargetingCovalent inhibitors and chemical probes targeting ligandable cysteine residues have emerged as powerful tools for drug discovery and proteomics. In this study, we introduce vinyl phosphonamidates (VPA...

Mathias Christmann reposted

Paula Rossi
@elementalmusings.bsky.social

Try to imagine chemistry without JJ Berzelius, who, after thousands of experiments, published the first precise list of atomic weights (1818). Yet Berzelius might have remained a mere physician had he never met Anders Ekeberg. Teachers can influence the course of history. 🧪 #chemsky #chemistry

cen.acs.org8 chemists with disabilities who left their mark on historyScientists with disabilities ascended to the forefronts of their fields long before labs were accessible and civil rights were codified

Mathias Christmann reposted

Chemistry World
@chemistryworld.com

New research shows that simply changing how a reaction vessel is positioned on a magnetic stirrer can significantly change a reaction's speed and product quality, influencing the reproducibility of results. #ChemSky #ScienceSky #EduSky

chemistryworld.comPosition of flask on magnetic stirrers can drastically affect reproducibility of experimentsComprehensive examination reveals improper siting of reaction vessels can affect catalyst formation, alter nanoparticle formation and change yields
Mathias Christmann
@christmann.bsky.social

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

Mathias Christmann reposted

Philippe Schwaller
@pschwllr.bsky.social

We demonstrate granular and steerable synthesizability control in molecular generation, allowing to specify reaction and building block constraints while optimizing for molecules with desired properties. Super proud of Jeff Guo and Víctor Sabanza Gil leading this exciting study! #chemsky

Jeff Guo@jeff-guo.bsky.social

Generate property-optimized small molecules with 𝘴𝘵𝘦𝘦𝘳𝘢𝘣𝘭𝘦 𝘢𝘯𝘥 𝘨𝘳𝘢𝘯𝘶𝘭𝘢𝘳 synthesizability control - allowing complete user-flexibility to impose various reaction constraints! Pre-print: arxiv.org/abs/2505.08774 Code: github.com/schwallergro... (1/4)

Mathias Christmann reposted

FU Berlin Dept. Biology, Chemistry, Pharmacy
@fubcp.bsky.social

Hi Bluesky! We’re the Department of Biology, Chemistry, and Pharmacy at Freie Universität Berlin. Follow us for a look into research, teaching, and life at our institutes—plus news and events. Welcome to all students, researchers, employees – and every other curious species out there! 🦠🪲🍃🧪🧬

Mathias Christmann
@christmann.bsky.social

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

Mathias Christmann
@christmann.bsky.social

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

Mathias Christmann reposted

FACCTs
@faccts.de

We are delighted to support Benjamin Pölloth's Comp-Chem-Lab project, which uses ORCA to introduce high school students to quantum chemistry. Check out the article and the website of the project: doi.org/10.1021/acs.... www.comp-chem-lab.de/en #ORCAqc #ChemicalEducation #CompChemSky #ChemSky

doi.orgHigh School Students Experimenting with Computational Chemistry: Design-Based Research on and through the “Comp-Chem-Lab”Despite the profound impact of Computational Chemistry (CC) on chemical research and understanding, it plays a negligible role in high school chemistry curricula. Integrating CC into high school educa...
Mathias Christmann
@christmann.bsky.social

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

Mathias Christmann
@christmann.bsky.social

Intriguing yet strange to watch a large language model deconstruct the steps to provide the simple answer ‘No.’ A brilliant comparison by @emollick.bsky.social to Marvin, the paranoid android from The Hitchhiker’s Guide to the Galaxy. #ChemSky

Ethan Mollick@emollick.bsky.social

No matter how much you fight it, I find that the visible chain-of-thought from DeepSeek makes it nearly impossible to avoid anthropomorphizing the thing The visible first-person "thinking" makes you feel like you are reading a diary of a somewhat tortured soul who wants to help. Weird interaction

Mathias Christmann
@christmann.bsky.social

📊 What I learned from analyzing 3000+ SI PDFs: Only 40% of papers w/ #MassSpectrometry data compliant w/ journal guidelines! From zero #Python experience to an automated checker Read the paper: pubs.acs.org/doi/10.1021/... Try the tool: github.com/match22lab/H... #DataScience #ChemPython #ChemSky

pubs.acs.orgWhat I Learned from Analyzing Accurate Mass Data of 3000 Supporting Information FilesA Python script for the systematic, high-throughput analysis of accurate mass data was developed and tested on more than 3000 Supporting Information (SI) PDFs from Organic Letters. For each SI file, q...
Mathias Christmann
@christmann.bsky.social

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”