Litaudon Marc

After years of work, our story on Macarangine B is out! Isolated from Macaranga leaves , we achieved its total synthesis during my PhD. It's a potent OSBP binder with antiviral activity, confirmed in great collaborations. pubs.acs.org/doi/abs/10.102…

MassSpecGym: A benchmark for the discovery and identification of molecules • MassSpecGym introduces a comprehensive benchmark and dataset for molecular discovery from mass spectrometry (MS/MS) data, addressing limitations of existing datasets in scope, standardization, and data leakage prevention. • With 231,000 high-quality labeled MS/MS spectra representing 29,000 unique molecules, it is the largest open-access resource for MS/MS data, including three core challenges: de novo molecular structure generation, molecule retrieval, and spectrum simulation. • The benchmark provides innovative splitting techniques to prevent data leakage and evaluates model performance in a generalization-demanding environment, setting a new standard for machine learning tasks in mass spectrometry. • MassSpecGym offers three tasks to support different research goals: predicting molecular structures from MS/MS spectra, retrieving known molecules from spectral libraries, and simulating spectra for any given molecule. • This tool is accessible through a user-friendly interface built on PyTorch Lightning and Hugging Face, promoting reproducibility and simplifying model evaluation and benchmarking within the broader machine learning community. @tomas_pluskal @jjjvanderhooft @me_datapoint @sohahassoun @bittremieux @WishartLab @BoWang87 @rschmid1789 @corinnabrungs @boeckerlab @roman_bushuiev @AntonBushuiev 💻Code: github.com/pluskal-lab/Ma… 📜Paper: arxiv.org/abs/2410.23326 #MassSpectrometry #MachineLearning #DrugDiscovery #Metabolomics #Benchmark

Une grande dame a été honorée ce soir et décorée des insignes d’officier de l’ordre national du mérite ! Bravo chère @KriefSabrina pour ton engagement de chaque seconde pour nos illustres chimpanzés, nos frères de la Forêt 🙏 @jmkrief @LoicDombreval @b_abba

A very nice talk from @florent.Olivon @ CEBA annual meeting in Cayenne #biodiversity in amazonia

Very excited to see this PhD idea finally published as a review @NatProdReports. We classified all MIA oligomers (~1000) through their chemical logic assembly. 3 years of efforts. The structures were submitted @TheLOTUSInitia1 kudos @Adafede pubs.rsc.org/en/content/art…

Delighted to host @Alexey_Gurevich from to close #METABIODIVEX MS summer school 2024 to connect metabolomics to genomics data through Metaminer.

The @cnrs summer school #METABIODIVEX dedicated to good practice in mass spectrometry just started with David Touboul @LitaudonM

Explorer la chimie évolutive avec Erwan Poupon ! Professeur à l'#UPSaclay et chercheur au laboratoire BioCIS en partenariat avec Cergy Paris Université et le @cnrs. Lauréat du prix Minafin 2023 de l'Académie des sciences. 🔗 Découvrez son portrait : tinyurl.com/arb7bsa2

Très bel hommage à la Maison de la Chimie en l'honneur de Pierre Potier

I am very excited to be a part of this new venture! The mzmine project is now going to be developed by a professional company, while remaining open-source and freely available to academic users. youtube.com/watch?v=JP7mnM…

We would like to express our gratitude to the French Embassy in Malaysia for its constant support over the last 4 decades, we are most grateful @ValérieBarbosa and his team for the attention paid to #scientific cooperation🇫🇷🇲🇾@IRP IFM NATPROPLAB, @ICSN_lab @Unimalaya @CNRS Chimie

Presentation of our scientific platforms and services by @BoyerFranoisDi1 to the new arrivals @ICSN_lab @CNRSchimie @UnivParisSaclay. If interested visit our website 👉 icsn.cnrs.fr/en/platforms

Well done Cécile for organising and leading a workshop on molecular networks, an interactive and stimulation event that was much appreciated by our Malaysian colleagues

🏆 👏 Félicitations à Claire de March, chercheuse @CNRS à l'@ICSN_lab, qui a reçu le Prix Irène Joliot-Curie "Jeune femme scientifique" 2023. Pour en savoir plus ▶ iledefrance-gif.cnrs.fr/fr/cnrsinfo/pr…

A nice talk delivered by Isabel Ramon Martinez from #lCSN at #Universiti Malaya on "Research and isolation of natural carbapenemase inhibitors" at @ICSN_lab

Dr Fanny Roussi gives her lecture at #University Malaya on Plant specialized métabolites as a source of inspiration for organic synthesis @ICSN_lab

Enchaînez avec Saclay Plant'Innov' 2023, la journée commune SPS‘Innov et Métabiodivex sur le thème des métabolites spécialisés en agriculture, le 10 novembre 2023 sur le centre INRAE de Versailles @SPS_Plant_Sci #METABIODIVEX @UnivParisSaclay @sup_recherche @INRAE_IDF

Félicitations à Rany MBENG OBAME @BioCIS pour son prix du meilleur poster lors du 6e Symposium de l'@APharmacognosie @Pharma_UPSaclay @INC_CNRS

Multi-informative MN is a highly effective approach for highlighting a chemical class of interest from a biologically active extract. In the present study, we mapped biological and taxonomic data to the MN in order to target the rapid isolation of antiviral compounds

Un poste Ingénieur-e en biologie cellulaire et en biochimie BAP A en NOEMI sur la Plateforme CIBI : Criblage de composés bio-actifs, et département de Chémobiologie à l'ICSN @ICSN_lab voir mobiliteinterne.cnrs.fr/ords/afip/owa/… Merci de faire suivre