Machine Learning to Assist in Large-Scale, Activity-Based Synthetic Cannabinoid Receptor Agonist Screening of Serum Samples

Janssens, Liesl K
Boeckaerts, Dimitri
Hudson, Simon
Morozova, Daria
Cannaert, Annelies
Wood, David M
Wolfe, Caitlin
De Baets, Bernard
Stock, Michiel
Dargan, Paul I
Stove, Christophe P

Laboratory of Toxicology, Department of Bioanalysis, Faculty of Pharmaceutical Sciences, Ghent University, Ghent, Belgium
KERMIT, Department of Data Analysis and Mathematical Modelling, Ghent University, Ghent, Belgium
LGC Ltd—Sport and Specialised Analytical Services, Cambridge, UK
Laboratory of Toxicology, Department of Bioanalysis, Faculty of Pharmaceutical Sciences, Ghent University, Ghent, Belgium
Laboratory of Toxicology, Department of Bioanalysis, Faculty of Pharmaceutical Sciences, Ghent University, Ghent, Belgium
Clinical Toxicology, Guy's & St Thomas' NHS Foundation Trust, London, UK
Faculty of Life Sciences and Medicine, King’s College London, London, UK
Clinical Toxicology, Guy's & St Thomas' NHS Foundation Trust, London, UK
Department of Emergency Medicine, Dalhousie University, Halifax, NS, Canada
KERMIT, Department of Data Analysis and Mathematical Modelling, Ghent University, Ghent, Belgium
KERMIT, Department of Data Analysis and Mathematical Modelling, Ghent University, Ghent, Belgium
BIOBIX, Department of Data Analysis and Mathematical Modelling, Ghent University, Ghent, Belgium
Clinical Toxicology, Guy's & St Thomas' NHS Foundation Trust, London, UK
Faculty of Life Sciences and Medicine, King’s College London, London, UK
Laboratory of Toxicology, Department of Bioanalysis, Faculty of Pharmaceutical Sciences, Ghent University, Ghent, Belgium

Liesl K. Janssens and Dimitri Boeckaerts contributed equally.

Address correspondence to this author at: Laboratory of Toxicology, Department of Bioanalysis, Faculty of Pharmaceutical Sciences, Ghent University, Ottergemsesteenweg 460 9000 Ghent Belgium. E-mail [email protected].

Received October 29, 2021

Accepted January 13, 2022

Revised March 28, 2022

This article is published and distributed under the terms of the Oxford University Press, Standard Journals Publication Model (https://academic.oup.com/journals/pages/open_access/funder_policies/chorus/standard_publication_model)

Clinical Chemistry 68(7):p 906-916, July 2022. | DOI: 10.1093/clinchem/hvac027