Emma Schymanski @ESchymanski
#cheminformatics nerd, scientist, engineer, wife, mother, 🇦🇺 in 🇱🇺🇪🇺. @FnrLux ATTRACT Fellow @uni_lu #OpenScience #MassSpec #Exposome. Tweets in 🇦🇺🇩🇪 scholar.google.com/citations?hl=e… Luxembourg Joined May 2017-
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Latest PubChemLite CSV version now available on Zenodo (Oct 2024 edition), enjoy! Downloadable here: doi.org/10.5281/zenodo… Browse here: pubchemlite.lcsb.uni.lu
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Latest #PubChemLite is out (Sept 2024 version), enjoy! zenodo.org/records/138486…
New MolGenie Organic Chemistry Ontology available on #PubChem thanks to Lutz Weber from #MolGenie (and Paul from #PubChem) classifying 1.8M PFAS premiered at the #ZeroPMworkshop this week! #OpenScience #cheminformatics pubchem.ncbi.nlm.nih.gov/source/27441 pubchem.ncbi.nlm.nih.gov/classification… Enjoy!
@EmmaPalm4 in action for @lcsb_uni_lu at #ZeroPMworkshop #OpenScience #environmental #cheminformatics Here slides are here if you are curious: zenodo.org/records/137715…
TFA as a possible transformation product of a lot of pesticides #ZeroPMworkshop
Check out our latest patent data adventures here! 👇 Any ideas, burning questions, thoughts, please let us know, we're keen to build on this and keep exploring!
This paper by @DagnyAurich @ESchymanski details the underlying code and #datasets behind chemical stripes, with a major focus on #patent data sourced from #PubChem, including patent origins, uses, and countries. #Exposomics #OpenAccess in ES&T Letters: go.acs.org/aKp
Emma Schymanski retweeted
This paper by @DagnyAurich @ESchymanski details the underlying code and #datasets behind chemical stripes, with a major focus on #patent data sourced from #PubChem, including patent origins, uses, and countries. #Exposomics #OpenAccess in ES&T Letters: go.acs.org/aKp
Latest #PubChemLite is out (Aug 2024 version). zenodo.org/records/135896… CCS version will come in a few days. #OpenScience #cheminformatics #exposome #PubChem Don't forget to check out our interface here (will update when the new CCS data is out) pubchemlite.lcsb.uni.lu
Emma Schymanski retweeted
We're delighted to share that @ESchymanski of @uni_lu has been featured on The Analytical Scientist Power List 2024 🏆 Congratulations! Read the Power List here: theanalyticalscientist.com/power-list/2024
@AnalBioanalChem @uni_lu Thank you ☺️
It was a pleasure to present the amazing work of @Begotalavera9 at #IMSC2024 last Thurs, a collaborative effort with @michael_heneka @lcsb_uni_lu and team, plus @EvanBolton and #PubChem team. The slides are here (many images from Bego): zenodo.org/records/133403… Pic: @EmmaPalm4
First tangible outcomes of #IMSC2024 discussions already public despite the conference only just ending! New data from @BakerLabMS making it's way into #PubChem - new substances already live and more data to come. Thanks to @ErinBakerIMS and team! pubchem.ncbi.nlm.nih.gov/source/25763
@Adafede @lcsb_uni_lu @DagnyAurich @UwXulab If only it were so easy ...😁 In all seriousness, the annotation content is still hosted PubChem side, detailed metadata is viewable there. The CIDs will redirect you to PubChem records. Would be v cool to build on your LOTUS concepts to expand into environmental matrices ...
Delighted to present our web interface for PubChemLite: pubchemlite.lcsb.uni.lu Beautifully designed by Valentin Groues from our BioCore @lcsb_uni_lu & featuring the #chemicalstripes of @DagnyAurich and predicted CCS from CCSbase @UwXulab + #PubChem we hope you will all enjoy!
Here is the link to the slides from my other (ECW2024) talk last week, thanks so much Brad Clarke for the invitation and helping me navigate the public transport system (thanks Ben for the lift!) - what an awesome lineup doi.org/10.5281/zenodo… @lcsb_uni_lu @FnrLux @ResearchLux
@DrKerryS @Bill_Sutherland @numenini ...and inspired this sonification with @jamiepereramuso too! vimeo.com/jpmlmusic/ourc…
@ChemistryUoM @uni_lu Thank you so much, my slides are available here for those who are interested in reading up more: doi.org/10.5281/zenodo…
Emma Schymanski retweeted
** Melbourne University Chemical Society (MUCS) Meeting #1112 ** Professor Emma Schymanski @ESchymanski University of Luxembourg @uni_lu "Enviornmental Cheminformatics: How to Navigate Millions of Chemicals?" Wednesday 14 August | 4:15-5:15 pm | Masson Theatre ALL WELCOME!
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