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Research Article 2026CC BYFree full text

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

Verena Schöning, Gaia Alluisetti, Katharina Elisabeth Grafinger, Daniel Pasin, Christophe P. Stove, Henrik Gréen +2 more

Introduction Binding affinity and functional potency are two distinct but pharmacologically related properties in ligand-receptor interactions. The molecular features influencing these two endpoints may differ, reflecting distinct physicochemical and conformational requirements for receptor binding and activation. Consequently, understanding the molecular features that determine both endpoints is essential, especi…

Frontiers in Pharmacology Europe PMC

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Research Article 2026CC BYFree full text

Development of a novel risk score reflecting the relative harm potential of synthetic cannabinoids based on prevalence estimates, well-documented intoxication cases and basic pharmacological data.

Michaela J Sommer, Katharina Elisabeth Grafinger, Maren Hermanns‐Clausen, Volker Auwärter

Background and aims While the health hazards of synthetic cannabinoid receptor agonists (SCRAs) are often approximated using in vitro pharmacological parameters as surrogate, this approach fails to consider pharmacokinetic and pharmacodynamic complexity. This study aimed to develop a practical risk score for SCRAs prevalent in Germany between 2013 and 2021, based on prevalence data and differentiated data on intox…

Addiction (Abingdon, England)