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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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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Interested in a collaboration? Contact me #OpenScience #ChemTwitter (5/5)
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Congrats Christian and @PhosphorusFive! Happy for you to see this published!
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.5…
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Mathias Christmann retweeted
With crystalization attempts is like playing the lottery: the more numbers you pick, the easier it is to win.
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Don’t miss today’s online lecture by Timothy Noël @tnoel82 of @NoelGroupUvA (University of Amsterdam), hosted by @GDCh_aktuell and organized by the Liebig-Vereinigung.
Details & free registration: gdch.app/event/from-bat…
#FlowChemistry #ChemTwitter
Details & free registration: gdch.app/event/from-bat…
#FlowChemistry #ChemTwitter
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Impressed to see that the Accurate Mass (HRMS) Checker has already been used more than 1,000 times!
Try it yourself: huggingface.co/spaces/Matchba…
#MassSpec #ChemPython #OpenScience #HRMS
Try it yourself: huggingface.co/spaces/Matchba…
#MassSpec #ChemPython #OpenScience #HRMS
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Beautiful blood moon over Berlin, captured from Drachenberg last night.
#BloodMoon #Eclipse #NightSky #Berlin
#BloodMoon #Eclipse #NightSky #Berlin
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Our collaboration with @RiedelLab @fluor_crc1349 on photomediated C–H trifluoromethoxylation using is(trifluoromethyl)peroxide is now published in @ChemicalScience
pubs.rsc.org/en/content/art…
#openaccess #FluorineChemistry #RadicalChemistry #OpenScience
pubs.rsc.org/en/content/art…
#openaccess #FluorineChemistry #RadicalChemistry #OpenScience
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Kids have a special eye for spotting the little things we often overlook. Challenge them to ‘find something cool’ and be amazed at what they discover 🔎
#NatureIsAmazing #PrayingMantis
#NatureIsAmazing #PrayingMantis
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Mathias Christmann retweeted
Today the Long Night of Research takes place #lndw. At 22.30 h our experimental chemistry lecture takes place 😉 FU Berlin, Fabeckstrasse 34/36, 14195 Berlin
Stay tuned !!!
Stay tuned !!!
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Today, part of the team of the Institute of Chemistry and Biochemistry enjoyed great food 🍽️ and discussions at Luise before heading together to the university elections at #FUBerlin.
Thanks to everyone who joined for the wonderful gathering! #CampusLife #ChemTwitter
Thanks to everyone who joined for the wonderful gathering! #CampusLife #ChemTwitter
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Mathias Christmann retweeted
2nd of the #Chemistry #Data Days of
@NFDI4Chem : Mathias @ChristmannGroup gave a brilliant talk about checking mass spec data and its implication in #organicchemistry! Tool here: huggingface.co/spaces/Matchba…
Paper: pubs.acs.org/doi/10.1021/ac…
Thank you so much!!!
@ACSPublications
@NFDI4Chem : Mathias @ChristmannGroup gave a brilliant talk about checking mass spec data and its implication in #organicchemistry! Tool here: huggingface.co/spaces/Matchba…
Paper: pubs.acs.org/doi/10.1021/ac…
Thank you so much!!!
@ACSPublications
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Catch mass (m) & substance amount (n) errors in PDFs!This tool comes handy, but expect false positives for now.
🔗 Link: huggingface.co/spaces/Matchba…
Explore more #OpenChemTools:
Accurate Mass: huggingface.co/spaces/Matchba…
SI Check: huggingface.co/spaces/Matchba…
#ChemPython #ChemTwitter
🔗 Link: huggingface.co/spaces/Matchba…
Explore more #OpenChemTools:
Accurate Mass: huggingface.co/spaces/Matchba…
SI Check: huggingface.co/spaces/Matchba…
#ChemPython #ChemTwitter
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Mathias Christmann retweeted
Free alternative for ChemDraw!
Meet MolDraw.
100% free to use!
Meet MolDraw.
100% free to use!
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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 pic). The logical steps to the correct answer were spot on. Wow.
#AI #LLM #OrgChem #ChemTwitter @GoogleAI
chemdle.com
#AI #LLM #OrgChem #ChemTwitter @GoogleAI
chemdle.com
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Well done, Gemini Pro 2.5: "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 #SciVis @GoogleAI
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