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27 March 2025
News
New machine learning model for predicting infrared spectra of ions
I am a PhD candidate in the Molecular Structure and Dynamics research group. My research involves the structural characterisation of (plant) metabolites using mass spectrometry, infrared ion spectroscopy and quantum chemical calculations.
| Label | Content |
|---|---|
| Research groups | Molecular Structure and Dynamics |
My publications
A Machine-Learned “Chemical Intuition” to Overcome Spectroscopic Data Scarcity
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| Label | Content |
|---|---|
| Author(s) | Cailum M. K. Stienstra, Teun van Wieringen, Liam Hebert, Patrick Thomas, Kas J. Houthuijs, Giel Berden, Jos Oomens, Jonathan Martens, W. Scott Hopkins |
| Year | 2025 |
| Journal | Journal of Chemical Information and Modeling, Vol 65/Issue 5 |
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