In vitro metabolic studies and machine learning analysis of mass spectrometry data: A dual strategy for differentiating alpha-pyrrolidinohexiophenone (α-PHP) and alpha-pyrrolidinoisohexanophenone (α-PiHP) in urine analysis - Yeh, Ya-Ling; Wen, Che-Yen; Hsieh, Chin-lin; Chang, Yu-Hsiang; Wang, Sheng-Meng (Forensic science international, 2024)
Keywords: Accuracy; Alkaloids - metabolism; Alkaloids - urine; Chromatography; Chromatography, Liquid; Classification; Europe; Feature selection; forensic sciences; Humans; Hydroxylation; in vitro metabolic study; In vitro methods and tests; In Vitro Techniques; Incubation; Isomer; Isomerism; Isomers; Ketones; Learning algorithms; Liquid chromatography; liver microsomes; Low concentrations; Machine Learning; Machine learning analysis; Mass spectra; Mass spectrometry; Mass Spectrometry - methods; Mass spectroscopy; Metabolism; Metabolites; Microsomes; Microsomes, Liver - metabolism; New psychoactive substance; principal component analysis; Principal components analysis; Psychotropic drugs; Psychotropic Drugs - metabolism; Psychotropic Drugs - urine; Pyrrolidines - urine; Quadrupoles; Regression analysis; Retention; Scientific imaging; Sodium; Synthetic cathinone; Taiwan; Tandem Mass Spectrometry; urinalysis; Urine; United States--US; Europe; Taiwan; Synthetic cathinone; in vitro metabolic study; New psychoactive substance; Mass spectrometry; Machine learning analysis; Isomer