interesting perspective by @schymane et al.: "Reporting Chemical Data in the Environmental Sciences" https://doi.org/10.1021/acsenvironau.5c00034
"This paper provides background, examples, and recommendations on how to report chemical data in a findable, accessible, interoperable, and reproducible (FAIR) manner within environmental science disciplines."
Here are the slides for my talk on #OpenScience #metabolomics and #exposomics this morning at #JOBIM2025
https://zenodo.org/records/15819524
Thanks to the @JOBIM2025 organizers for a great event!
Keynote Presentation for the "Data Processing and Integration in Metabolomics" Session on Thursday July 10th at JOBIM2025 in Bordeaux, France. Many thanks to the organizers for the invitation! https://jobim2025.labri.fr/
Our proposed hackathon to improve integration of #rstats 
and #Python 
packages for #MassSpectrometry was selected for the #EuBIC2025 @EuBIC_MS developer meeting! 🥳
Looking forward to expand and improve our SpectryPy package https://bit.ly/4hQfhj1
The SpectriPy package allows integration of Python-based MS analysis code with the Spectra package. Spectra objects can be converted into Python's matchms Spectrum objects. In addition, SpectriPy integrates and wraps the similarity scoring functions from the matchms package into R.
It's been an inspiring week at SSbD24 with great conversations (and great weather too). If you'd like to find out more about my take on #OpenScience and #FAIR Data for SSbD and how we try to tie it all in together you can find my slides here:
Keynote talk given for Safe and Sustainable by Design (SSbD24) Conference at Monte Verita, Ascona. Many thanks to the organisers for the invitation! The video mentioned in this talk can be viewed here: https://vimeo.com/jpmlmusic/ourchemicalpastpresentandfuture
How a misinterpretation of a BMJ publication from 1996 caused (and yes, I do mean caused) the explosion in rates of peanut allergy.
In a nutshell: for decades the guidance issued in the USA and UK was the opposite of what it should have been and left a generation with preventable, life-threatening allergies.
https://news.harvard.edu/gazette/story/2024/10/excerpt-from-blind-spots-by-marty-makary/
Latest PubChemLite CSV version now available on Zenodo (Oct 2024 edition), enjoy!
Downloadable here:
https://doi.org/10.5281/zenodo.13989963
Browse here:
https://pubchemlite.lcsb.uni.lu
This is the repository for regular updates of the PubChemLite for Exposomics data collection. PubChemLite for Exposomics is a subset of PubChem selected from major categories of the Table of Contents page at the PubChem Classification Browser, described in DOI:10.1186/s13321-021-00489-0. PubChemLite for Exposomics is compiled from 10 categories: AgroChemInfo, BioPathway, DrugMedicInfo, FoodRelated, PharmacoInfo, SafetyInfo, ToxicityInfo, KnownUse, DisorderDisease, Identification. PubChemCIDs have been collapsed by InChIKey first block, reporting the structure from the most annotated CID, plus related CIDs. Entries that will be ignored by MetFrag (salts, disconnected substances) or cause errors (e.g. transition metals) have been removed. The Patent and PubMed ID counts are extracted from files on the PubChem FTP site. The `AnnoTypeCount' term counts how many of the categories are represented, the subsequent column (named per category) counts the number of annotation categories available in the next sub-category of the TOC entry. These files can be used `as is' as localCSV for MetFrag Command Line.
Announcing Zotero 7, the biggest update in Zotero’s 18-year history
today, Denise Slenter will defend her wonderful first Symphony of Metabolomics at 4pm CEST (with public stream): https://www.maastrichtuniversity.nl/events/phd-defence-denise-slenter #metabolomics
But we start the day with a mini symposium in the morning, with various speakers
Egon Willigh☮gen 🟥
Johannes Rainer
Fiona Craig
Zotero
Egon Willighagen