Can NMR spectroscopy discriminate between NPS amphetamines and cathinones? An evaluation by in silico studies and chemometrics
Caio Henrique Pinke Rodrigues, Vitor B. P. Leite, Aline Thaís Bruni
Topics & Concepts
ChemometricsChemistryCathinoneComputer scienceSet (abstract data type)Biochemical engineeringTest setChemical shiftComputational chemistryAmphetamineMachine learningPhysical chemistryDopamineEngineeringProgramming languageNeuroscienceBiologyForensic Toxicology and Drug AnalysisPsychedelics and Drug StudiesMetabolomics and Mass Spectrometry Studies