Welcome Henrik!

This month we were able to welcome our new post-doc Henrik to our group. Recently, Henrik successfully defended his PhD thesis about noncovalent interactions to construct supramolecular switches at Freie Universität Berlin. Here, his work will focus on the design of sustainable derivatization reagents for pesticide detection with LC/HRMS. A machine learning algorithm will be […]

Pittcon 2023

On my third try, I was finally able to participate in Pittcon last week. This year Pittcon took place in person in Philadelphia, US. I was lucky enough to present our recent works in two presentations, one on quantitative nontarget screening (NTS) and the other on toxicity prediction for unidentified chemicals. You can find my […]

What holds 2023?

As I am writing this, 2022 is approaching its last hours, and it is high time for a throwback to the year, my friends, and a bit of peaking into the upcoming 2023. 2022 was a very fruitful year for Kruvelab. Since I moved to Stockholm University in mid-2019 I have been building – with […]

Machine Learning and Analytical Chemistry Seminar at the University of Tartu

In January a collaborative project on improving machine learning prediction accuracy for quantification in non-target screening started between our group and the group of Meelis Kull at the Institute of Computer Science at the University of Tartu kicked off. In the summertime, two PhD students, Louise Malm and Wei Chieh (Harry) Wang joined the project. […]

NTS workshop and NORMAN General Assembly in

Last week of November I and Louise participated in a two-day NTS workshop on analytical techniques and implementation followed by a two-day NORMAN network‘s annual meeting in Odense, Denmark. NORMAN interlaboratory comparison of semi-quantification methods We presented the quantification strategies for the LC/HRMS nontarget screening together with a first glance at the results from the […]

Quantification and its accuracy in nontarget screening

Last Tuesday Jon Sobus from EPA presented some of the findings from a recent paper Uncertainty estimation strategies for quantitative non-targeted analysis, where we were also happy to collaborate, on the BP4NTA online meeting. People from BP4NTA meetings have been reaching out with questions on ionization efficiency-based quantification. Some of these are often asked of us and I decided […]

Welcome to Kruvelab, Yvonne!

This is Yvonne, a second-year Master’s student in Analytical Chemistry. There are two things she cannot get enough of – hiking and gaining new knowledge. Yvonne has just started her Master’s thesis in which she is exploring the possibility of using deep learning for toxicity predictions. She is training an autoencoder to compress the HRMS […]