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In silico prediction, LC-HRMS/MS analysis, and targeted/untargeted data-mining workflow for the profiling of phenylfentanyl in vitro metabolites

Silico PredictionMedicinal ChemistryPredictive ToxicologyBiochemistryMedicineNatural SciencesBioanalysisMass SpectrometryRational Drug DesignMetabolomic ProfilingData-mining WorkflowLc-hrms/ms AnalysisMetabolic ProfilingMetabolomicsPharmacologyDrug DiscoveryToxicogenomicsDrug Analysis