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Predicting affinity and potency of new psychoactive substances at cannabinoid 1 receptor with explainable artificial intelligence.

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Title: Predicting affinity and potency of new psychoactive substances at cannabinoid 1 receptor with explainable artificial intelligence.
Authors: Schöning V; Clinical Pharmacology and Toxicology, Department of Internal Medicine, University Hospital Bern, Bern, Switzerland., Alluisetti G; Institute of Forensic Medicine Bern, Forensic Toxicology and Chemistry, University of Bern, Bern, Switzerland.; Graduate School for Cellular and Biomedical Sciences, University of Bern, Bern, Switzerland., Grafinger KE; Institute of Forensic Medicine Bern, Forensic Toxicology and Chemistry, University of Bern, Bern, Switzerland., Pasin D; Hyperion Data, Griffith, NSW, Australia., Stove CP; Laboratory of Toxicology, Department of Bioanalysis, Faculty of Pharmaceutical Sciences, Ghent University, Ghent, Belgium., Gréen H; Division of Clinical Chemistry and Pharmacology, Department of Biomedical and Clinical Sciences, Linköping University, Linköping, Sweden.; Department of Forensic Genetics and Forensic Toxicology, National Board of Forensic Medicine, Linköping, Sweden., Weinmann W; Institute of Forensic Medicine Bern, Forensic Toxicology and Chemistry, University of Bern, Bern, Switzerland., Hammann F; Clinical Pharmacology and Toxicology, Department of Internal Medicine, University Hospital Bern, Bern, Switzerland.
Source: Frontiers in pharmacology [Front Pharmacol] 2026 May 20; Vol. 17, pp. 1815814. Date of Electronic Publication: 2026 May 20 (Print Publication: 2026).
Publication Type: Journal Article
Journal Info: Publisher: Frontiers Media] Country of Publication: Switzerland NLM ID: 101548923 Publication Model: eCollection Cited Medium: Print ISSN: 1663-9812 (Print) Linking ISSN: 16639812 NLM ISO Abbreviation: Front Pharmacol Subsets: PubMed not MEDLINE
Database: MEDLINE Ultimate
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  Data: <searchLink fieldCode="AU" term="%22Schöning+V%22">Schöning V</searchLink>; Clinical Pharmacology and Toxicology, Department of Internal Medicine, University Hospital Bern, Bern, Switzerland.<br /><searchLink fieldCode="AU" term="%22Alluisetti+G%22">Alluisetti G</searchLink>; Institute of Forensic Medicine Bern, Forensic Toxicology and Chemistry, University of Bern, Bern, Switzerland.; Graduate School for Cellular and Biomedical Sciences, University of Bern, Bern, Switzerland.<br /><searchLink fieldCode="AU" term="%22Grafinger+KE%22">Grafinger KE</searchLink>; Institute of Forensic Medicine Bern, Forensic Toxicology and Chemistry, University of Bern, Bern, Switzerland.<br /><searchLink fieldCode="AU" term="%22Pasin+D%22">Pasin D</searchLink>; Hyperion Data, Griffith, NSW, Australia.<br /><searchLink fieldCode="AU" term="%22Stove+CP%22">Stove CP</searchLink>; Laboratory of Toxicology, Department of Bioanalysis, Faculty of Pharmaceutical Sciences, Ghent University, Ghent, Belgium.<br /><searchLink fieldCode="AU" term="%22Gréen+H%22">Gréen H</searchLink>; Division of Clinical Chemistry and Pharmacology, Department of Biomedical and Clinical Sciences, Linköping University, Linköping, Sweden.; Department of Forensic Genetics and Forensic Toxicology, National Board of Forensic Medicine, Linköping, Sweden.<br /><searchLink fieldCode="AU" term="%22Weinmann+W%22">Weinmann W</searchLink>; Institute of Forensic Medicine Bern, Forensic Toxicology and Chemistry, University of Bern, Bern, Switzerland.<br /><searchLink fieldCode="AU" term="%22Hammann+F%22">Hammann F</searchLink>; Clinical Pharmacology and Toxicology, Department of Internal Medicine, University Hospital Bern, Bern, Switzerland.
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              Text: 2026 May 20
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