Finally, this paper is published in Journal of Cheminformatics following the #FAIR principles. Jim Boelrijk @BerndEnsing Van 't Hoff Institute for Molecular Sciences UvA #NTS

Predicting RP-LC retention indices of structurally unknown chemicals from mass spectrometry data #JCheminform jcheminf.biomedcentral.com/articles/10.11…

Is there a way to deconvolute your MS2 spectra when there is no time domain? Check out our latest preprint!! We use cumulative neutral losses and #Bayes statistics to clean these spectra. chemrxiv.org/engage/chemrxi… Jake O'Brien Kevin Thomas Van 't Hoff Institute for Molecular Sciences UvA #HRMS #nta #FAIR #OpenAccess

4 postdoc positions open UvA Amsterdam vacatures.uva.nl/UvA/job/4-Post… Come work with Saer Samanipour, Patrick Forré and me on a project using AI to simplify chemical additives for designing safer and more sustainable plastics (Topic 3) IBED Van 't Hoff Institute for Molecular Sciences UvA AI4Science Laboratory Please RT

Great to be at #SETAC2023 #SETAC2023 🔬🍀 Find me at poster 11 today to discuss data-driven approaches for chemical categorization 😊 And if you are looking for a postdoc or phd position, 2 open positions in our institute (IBED) are advertised at the bottom of my poster 😉

InSpectra – A Platform for Identifying Emerging Chemical Threats sciencedirect.com/science/articl… Saer Samanipour Jake O'Brien @DrCassss

Remember to submit your abstracts for #ICNTS23 (International Conference on Non-Target Screening #TeamMassSpec) by May 31st. With a great line up of keynotes incl Dr. Erin Baker we hope to see you there 16-19 October! Details & templates here: afin-ts.de/icnts23/

A few more days left to apply for a postdoc position on using AI to identify safer chemical additives for safer-by-design plastics (project 3 in the link below) Come work on this exciting topic with Saer Samanipour, myself and the AI4Science Laboratory IBED Van 't Hoff Institute for Molecular Sciences UvA UvA Amsterdam

We have a #phd opening at the Van 't Hoff Institute for Molecular Sciences UvA working on separation sci, computational MS, and #ML. vacatures.uva.nl/UvA/job/PhD-Ca… For questions please contact me and please share this within your network.

Deadline for these postdoc positions extended to June 10! Find the detailed project descriptions here: hims.uva.nl/vacancies/proj… ➡️feel free to contact me for questions on Project 3 (simplifying additives for SSbD plastics) w/Saer Samanipour Link to apply: vacatures.uva.nl/UvA/job/4-Post…

2 days left to apply to our postdoc position on using AI to identify safer chemical additives for SSbD plastics Project description here (project 3): hims.uva.nl/vacancies/proj… Link to apply: vacatures.uva.nl/UvA/job/4-Post… Saer Samanipour AI4Science Laboratory IBED Van 't Hoff Institute for Molecular Sciences UvA UvA Faculty of Science

Here is the direct like to #OpenAccess paper doi.org/10.1021/acs.an… Jake O'Brien Kevin Thomas Van 't Hoff Institute for Molecular Sciences UvA UQ News ACS Analytical Chemistry Journals

I am excited to be part of the NORMAN guidance manuscript on suspect and non-target screening! It is a must-read for any laboratory entering the field and anyone else interested. Check it out: link.springer.com/article/10.118… #analyticalchemistry #HRMS #NTS #NTA

Great work by Vi and Tobias. Kevin Thomas Jake O'Brien

Congratulations to all award winners this morning at #ICNTS23 Posters: 3) Juan Garcia-Reyes et al #microcystins 2) Sanne Boot, Saer Samanipour et al UvA 1) Maarten Roggeman Lidia Belova et al Toxicological Centre UA + lifetime award winner Wolfgang Schulz! + Anal Bioanal Chem for supporting!

Exploring the Chemical Space of the Exposome: How Far Have We Gone? | JACS Au pubs.acs.org/doi/full/10.10… Saer Samanipour Leon Barron Denise van Herwerden Antonia Praetorius Jake O'Brien