#cheminformatics nerd, scientist, engineer, wife, mother, 🇦🇺 in 🇱🇺🇪🇺. @FnrLux ATTRACT Fellow @uni_lu #OpenScience #MassSpec #Exposome. Tweets in 🇦🇺🇩🇪
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Joined May 2017
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New updates to @uni_lu webpages now include more details incl. online presence. If things about ECI #OpenScience #environmental #cheminformatics get a little quiet here we may well be sharing updates elsewhere ... plenty of exciting things in the works!
uni.lu/lcsb-en/people/emma-s…
Latest PubChemLite CSV version now available on Zenodo (Oct 2024 edition), enjoy!
Downloadable here:
doi.org/10.5281/zenodo.13989…
Browse here:
pubchemlite.lcsb.uni.lu/
Latest #PubChemLite is out (Sept 2024 version), enjoy!
zenodo.org/records/13848602
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/sou…
pubchem.ncbi.nlm.nih.gov/cla…
Enjoy!
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
ALT TOC image from the article
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
ALT TOC image from the article
Latest #PubChemLite is out (Aug 2024 version).
zenodo.org/records/13589676
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/p…
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/13340376
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/sou…
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.13306…
@lcsb_uni_lu @FnrLux @ResearchLux
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!
Thank you so much for the opportunity @ChemistryUoM and great turnout, what a fabulous seminar number and great discussions afterwards! My slides are available here:
doi.org/10.5281/zenodo.13306…
@uni_lu @lcsb_uni_lu @FnrLux @ResearchLux #OpenScience #cheminformatics #TeamMassSpec
** 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!
Exciting new #exposome doctoral program starting soon in Luxembourg funded by @FnrLux - great consortium is looking to fill 12 #PhD positions incl. two at @lcsb_uni_lu and one in my team, find out more right here ⬇️
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Happy to share our @uni_lu student project #preprint delving into the #ChemicalStripes data w/ @DagnyAurich Flavio Paul & Jun Pang!
Revealing Chemical Trends: Insights from Data-Driven Visualisation and Patent Analysis in Exposomics Research | ChemRxiv - go.shr.lc/4668FI0
Sharing on request: Postdoc position (2 yrs) in #environmental organic analytical #chemistry with Juliane Hollender @EawagResearch - analytical/data mining for non-target workflows. #TeamMassSpec
A great place to work with one of the leaders of NTS!
apply.refline.ch/673277/1183…
Happy to announce we will have a Doctoral Training Unit in #Luxembourg on the #exposome coordinated by LIH with 12 #PhDposition available, incl one at #ECI @lcsb_uni_lu @uni_lu. @FnrLux @ResearchLux
Applications considered in batch, please apply here:
xpose.lih.lu
Post on request, Prof. Christian Zwiener @uni_tue is looking for a postdoc in Environmental Analytical Chemistry with expertise in HRMS screening of PFAS (uni-tuebingen.de/de/94410).
Projects on occurrence, fate of and remediation for #PFAS in contaminated sites and urban areas