Arnaud Gaudry @gaudarn
👨🔬 | PhD in life science 💊 | Metabolomics, Natural Products and Data Analysis Enthusiast💡💻🌿 | Geneva🇨🇭 Joined December 2021-
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Natural extracts contain products with great #drugdiscovery potential, but are complex mixtures, making analysis difficult. This @ACSCentSci article describes a way to organise, standardise & compare natural products data to facilitate drug discovery. 📖bit.ly/4c65Dpz
A computational framework for #DrugDiscovery of #NaturalProducts using #SemanticWeb technologies has been developed by several SIB Members in collaboration with @unige_en, @SwissTPH, @DNDi, @unifr and @PierreFabre. Read more in the preprint: tinyurl.com/pjs2cb6c
Check our new preprint: RepoRT: A comprehensive repository for small molecule retention times | ChemRxiv - go.shr.lc/3PIPoWE @boeckerlab @MPC_HMGU @ChemBioSys_muc #metabolomics #lipidomics
Congrats 👏🎉 to Arnaud Gaudry for a good defense of his great PhD thesis! It was my pleasure to serve as your opponent and have nice discussions about #computational #metabolomics :-) Also congrats to the supervisory team @allard_pm & Jean-Luc Wolfender @MetaboGeneva @UNIGEnews
1,600 plant extracts reveal their secrets. A plethora of plant molecules provides a ple"flora" of #opendata, as a huge resource is released characterizing ~10% of the plant extracts in the @PierreFabre collection. Blog gigasciencejournal.com/blog/1600-plan… Paper doi.org/10.1093/gigasc…
Just tried it for a presentation, super cool stuff 🤩
Just tried it for a presentation, super cool stuff 🤩
i'm thrilled to announced the official publication of: Inventa: A computational tool to discover structural novelty in natural extracts libraries frontiersin.org/articles/10.33… #Bioinformatics #Isolation #newcompounds #massspectrometry #OpenScience #metabolomics
Published on @eLife, @TheLOTUSInitia1 first article is an international effort to make #naturalProducts knowledge #open, #collaborative, and #machineInterpretable. @ISPSO_UniGe Original article ➡️ ow.ly/8ZyZ50LscbZ
Are you collecting #genomics and/or #metabolomics data for #naturalproducts #discovery? Curious how to #analyze these #omics #datasets? Then, the #NPLinker #eScience @eScienceCenter project organizes a #workshop for you! 😎 #computational #metabolomics #genomics #NPGenMetMine2023
The Dorrestein lab has the pleasure to annunciate a new tool that we are developing, plantMASST 🌱🍍🍎🍃 Users will be able to search for MS/MS spectra against a database of Plant MS/MS files, and map the results into a phylogenetic/taxonomic tree! 1/3
I am really to present to the community #Inventa. It highlights the structural novelty potential within extracts, considering untargeted mass spectrometry data, spectral annotation, and literature reports. the preprint is now available! doi.org/10.1101/2022.0…
Great effort led by @bittremieux, @rschmid1789 and @Pdorrestein1 together with @mingxunwang and @me_datapoint! 😎 In this paper, we compare three #mass #spectral #similarity #metrics in comparing #massspectrometry #fragmentation #spectra! 😎 #computational #metabolomics
@PetermannYuan chose the weirdest #beer for this evening! I am pretty sure it is a front for some underground business 😅 Guess what is this #hidden #white #box in the bottom of my #beer_can? @gaudarn hurt his finger in the excavation! Unravel the #mystery!! @OHarasBeers
The richness of untargeted mass spectrometry data is a blessing and a curse. We created MassQL to help mass spectrometry users to sift through this deluge of data and find exactly the molecules and classes of molecules they were looking for by defining their own MS data searches.
The richness of untargeted mass spectrometry data is a blessing and a curse. We created MassQL to help mass spectrometry users to sift through this deluge of data and find exactly the molecules and classes of molecules they were looking for by defining their own MS data searches. https://t.co/tZDUXfiMBt
Today we celebrate the first month of the official publication (doi.org/10.7554/eLife.…) of our Initiative! 🥳 We already had plenty of insightful feed-backs and new contributions! Keep spreading the word to liberate our #NaturalProducts #data through @wikidata!
Supreme Justices - © Chappatte in Le Temps, Geneva > chappatte.com/en/images/supr…
Recently "neutral loss matching" was suggested for MS/MS spectra comparisons. However, multiple large-scale comparisons show that the "modified cosine score" is better suited for tasks like #MolecularNetworking (as done @GNPS_UCSD). preprint --> biorxiv.org/content/10.110…
The #LOTUS initiative article is finally officially published at @eLife (doi.org/10.7554/eLife.…). This is an international effort to make #naturalProducts knowledge #open, #collaborative, and #machineInterpretable. (a 🧵) (1/7)
L’urgence climatique est un fait scientifique. L’urgence climatique est un fait scientifique. L’urgence climatique est un fait scientifique. L’urgence climatique est un fait scientifique. L’urgence climatique est un fait scientifique.
L’urgence climatique est un fait scientifique. L’urgence climatique est un fait scientifique. L’urgence climatique est un fait scientifique. L’urgence climatique est un fait scientifique. L’urgence climatique est un fait scientifique.
For hundreds of years there have only been two main types of cell division in animals, but researchers have identified a new and unexpected kind of cell division that occurs without DNA being replicated. Read the @Nature paper: go.nature.com/3MLLlnN
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