@Adafede
 Suisse
Joined April 2011
  • Tweets409
  • Following355
  • Followers213
13Media
I have an open Postdoc position in Molecular Systems Biology at ETH Zürich! The project is about the conservation of transcription factors functions between strains of Pseudomonas aeruginosa 🧬🦠 More details and application at: jobs.ethz.ch/job/view/JOPG_e… Please share!
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Wikidata is a free and open knowledge base that can be read and edited by humans and machines. It acts as central storage for the structured data of Wikimedia projects like @Wikipedia. Keep learning about this powerhouses behind Wikimedia projects ➡️ w.wiki/4TCt
Wikidata nodes converge. Text reads: Happy birthday, Wikidata! The free, open, collaborative, and multilingual knowledge base has supported Wikimedia projects for the past 12 years.

ALT Wikidata nodes converge. Text reads: Happy birthday, Wikidata! The free, open, collaborative, and multilingual knowledge base has supported Wikimedia projects for the past 12 years.

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This could be a good time to remind those that may have not seen it before, that the @reactome database at @emblebi also has a library of open access icons reactome.org/icon-lib
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I'm hiring another postdoc for my starting lab at @VIB_microbes to study microbial carbon fixation! We'll be deriving how enzymes in marine microbes inadvertently form stable molecules that are sequestered long term in the ocean. jobs.vib.be/j/93444/postdoc-…
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I have an open position for a PhD student in molecular microbiology! The project is about the role of transcription factors during P. aeruginosa infections 🦠🧬. More details: imsb.ethz.ch/research/trouil… Please share!
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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!
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Untargeted metabolomics analyses to identify a new sweet compound released during post-fermentation maceration of wine. #FoodChem #MassSpec sciencedirect.com/science/ar…
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Our article where we enhanced boilerplate GNNs with a set representation layer to push the SOTA (incl. large language models and specialised GNNs) has been released in @NatMachIntell. Huge thanks to @marita_b1 and @trekkinglemon nature.com/articles/s42256-0…

Molecular set representation learning

Nature Machine Intelligence - Machine learning methods for molecule predictions use various representations of molecules such as in the form of strings or graphs. As an extension of graph...

nature.com
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Excited to announce that our new paper on using sets of atomic invariants to enhance ML models for molecular property, binding affinity and reaction yield prediction is out now! Many thanks to @skepteis and @trekkinglemon for the supervision and support! nature.com/articles/s42256-0…

Molecular set representation learning

Nature Machine Intelligence - Machine learning methods for molecule predictions use various representations of molecules such as in the form of strings or graphs. As an extension of graph...

nature.com
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Adriano Rutz retweeted
patrickruch@patrickruch
20 Jun 2024
Contributors from the Earth Metabolome Initiative @WorldBioForum #WBF2024 #Davos @UniFreiburg @ISBSIB
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Sebastian Böcker and Kai Dührkop travelled to Japan to present SIRIUS 6 in a workshop and a keynote talk at #Metabolomics2024. Make sure to get in touch with them to learn more about #SIRIUS6. ⬇ Download SIRIUS 6: github.com/sirius-ms/sirius/… #SIRIUS_MS #MetSoc2024 #SIRIUSEvents
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Adriano Rutz retweeted
Grant Hill@Dr_GHill
15 Jun 2024
How didn't I know about the Wikipedia chemical structure explorer? It could be incredibly useful. wikipedia.cheminfo.org
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#SIRIUSUpdate: We are thrilled to announce the release of #SIRIUS6 introducing new features to enhance your mass spectrometry analysis of small molecules. ⬇ github.com/sirius-ms/sirius/… #MSNovelist #API #UntargetedAnalysis #StructureElucidation #SmallMolecules #Release #ASMS2024
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Adriano Rutz retweeted
Wender Gomes@pwpgomes
16 May 2024
Happy to see plantMASST out (biorxiv.org/content/10.1101/…). It is a community-curated database of nearly 20,000 LC-MS/MS data files from ~2,800 plant species, making them searchable. This allows one to directly connect plant's metabolites to their taxonomic distribution [1/4]

plantMASST - Community-driven chemotaxonomic digitization of plants

Understanding the distribution of hundreds of thousands of plant metabolites across the plant kingdom presents a challenge. To address this, we curated publicly available LC-MS/MS data from 19,075...

biorxiv.org
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I’m happy to share a preprint about our efficient MSn library building workflow. We developed a high-throughput method and @mzmine_project pipeline to extract 1M spectra of >16,000 compounds; all accomplished in 12 days. Contact us to customize the MSnLib. doi.org/10.26434/chemrxiv-20…
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Our preprint describes an MSn library, a high-throughput acquisition method, and a #CompMS pipeline powered by @mzmine_project. Led by @corinnabrungs et al. we built the first #FAIR multi-stage fragmentation spectral tree library for >16,000 compounds. 1/n doi.org/10.26434/chemrxiv-20…
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📢#Call for applications is open! 🤩Apply for the National ORD Prize 2024!🏆 👉ord.akademien-schweiz.ch/en/… #openresearchdata #ord #prize #Switzerland
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#IDSM (the small-molecule database developed by @ELIXIRCZ) now also allows you to search for small molecules by their mass spectrum via #SPARQL. doi.org/10.1093/bioinformati…

The IDSM mass spectrometry extension: searching mass spectra using SPARQL

AbstractSummary. The Integrated Database of Small Molecules (IDSM) integrates data from small-molecule datasets, making them accessible through the SPARQL

academic.oup.com
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Our Prague #compMS Workshop hosted 100 researchers +online. It was a great success thanks to all presenters, participants, sponsors, and venue @IOCBPrague. @mzmine_project #SIRIUS_MS #matchms @wikidata @TheLOTUSInitia1 @GNPS_UCSD #massspec #metabolomics 1/n ...
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Adriano Rutz retweeted
Henrik M. Roager@HRoager
2 Apr 2024
Can you help us find the right #postdoc for our group? (retweet, like) 🙏 ❤️ 📣 We are looking for a motivated postdoc interested in human diet-microbiome interactions, metabolomics and microbial metabolites. ⭐Deadline for applications: 19 May 2024 📍 @NEXSKU @uni_copenhagen
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