exposomeIDProba

This GitHub repository shares the scripts in Julia programming language that are used for models' application and identification probability calculation according to the research article "Machine Learning for Enhanced Identification Probability in RPLC/HRMS Non-Targeted Workflows".

The 3 machine learning models that are involved in this project "exposomeProjUvA" are available at

https://bitbucket.org/hiulokngan/modelsExposomeProjUvA/

Published: 12 August 2025, DOI: 10.1021/acs.analchem.5c01873

Hiu-Lok Ngan,† Viktoriia Turkina,‡ Denice van Herwerden,‡ Hong Yan,†,‖ Zongwei Cai,,† and Saer Samanipour,‡,§

† State Key Laboratory of Environmental and Biological Analysis, Department of Chemistry, Hong Kong Baptist University, Hong Kong, P. R. China

‖ Department of Biology, Hong Kong Baptist University, Hong Kong, P. R. China

‡ Van ’t Hoff Institute for Molecular Sciences (HIMS), University of Amsterdam, Amsterdam, 1098 XH, the Netherlands

§ UvA Data Science Center, University of Amsterdam, Amsterdam, 1012 WP, the Netherlands

* Corresponding authors: Drs. Zongwei Cai and Saer Samanipour

E-mails: zwcai@hkbu.edu.hk; s.samanipour@uva.nl