title: An LD50 model for predicting psychotropic drug toxicity using biopartitioning micellar chromatography.
abstract: The LD50 determination is the main way to measure the acute toxicity of all types of substances. At the present time, however, there is increasing opposition to the use of living animals in research and testing activities from animal rights groups as well as some scientists. Nevertheless, the need to have a tool for estimating the potential toxicity of new compounds for human consumption has encouraged the development of alternative methods. Under adequate conditions, the partitioning in micellar liquid chromatography can describe the drug biopartitioning. We have named this chromatographic system biopartitioning micellar chromatography (BMC). In this paper, an LD50 QRAR model developed for psychotropic drugs from their retention data in BMC, is described. The model's ability to predict new psychotropic drug toxicity is statistically proved.
authors.affiliation: Departamento de Química Analítica, Facultad de Farmacia, Universidad de Valencia, C/ Vicente Andrés Estellés s/n, 46100 Valencia, Spain.
authors.forename: C
authors.initials: C
authors.lastname: Quiñones-Torrelo
authors.forename: S
authors.initials: S
authors.lastname: Sagrado-Vives
authors.forename: R M
authors.initials: RM
authors.lastname: Villanueva-Camañas
authors.forename: M J
authors.initials: MJ
authors.lastname: Medina-Hernández
mesh_terms: D002853:Chromatography, Liquid / Q000379:methods*; D005069:Evaluation Studies as Topic; D007928:Lethal Dose 50; D008823:Micelles; D011619:Psychotropic Drugs / Q000633:toxicity*; D013056:Spectrophotometry, Ultraviolet
chemical_list: D008823:Micelles; D011619:Psychotropic Drugs