Quantitative structure–activity relationship (QSAR) methodology in forensic toxicology: Modeling postmortem redistribution of structurally diverse drugs using multivariate statistics
作者: Costas GiaginisAnna Tsantili-KakoulidouStamatios Theocharis
作者单位: 1Department of Forensic Medicine and Toxicology, Medical School, University of Athens, 75 Mikras Asias Street, Goudi, Athens GR11527, Greece
2Department of Pharmaceutical Chemistry, School of Pharmacy, University of Athens, Panepistimiopolis, Zografou, Athens 157 71, Greece
刊名: Forensic Science International, 2009, Vol.190 (1), pp.9-15
来源数据库: Elsevier Journal
DOI: 10.1016/j.forsciint.2009.05.003
关键词: Forensic toxicologyPostmortem redistributionQSARMultivariate data analysisPhysicochemical propertiesMolecular properties
原始语种摘要: Abstract(#br)Postmortem redistribution (PMR) constitutes a multifaceted process, which renders the analytical results of drug concentrations inaccurate to be interpreted by forensic toxicologists. The aim of the present study was to evaluate whether quantitative structure–activity relationship (QSAR) methodology could serve as an effective tool to estimate the ability of drugs to redistribute across tissue barriers during postmortem period on the basis of their molecular, physicochemical and structural properties. In this aspect, multivariate data analysis (MVDA) was applied to a set of 77 structurally diverse drugs. PMR data expressed by the central:peripheral concentration ratio (C:P ratio) was taken from the literature. An adequate and robust QSAR model ( R 2 ...
全文获取路径: Elsevier  (合作)
影响因子:2.307 (2012)

  • QSAR 排队顺序访问复位
  • relationship 关系
  • activity 活度
  • redistribution 重新分配
  • structurally 在结构上
  • drugs 药品
  • applicability 适用性
  • concentrations 浓聚物
  • postmortem 死后的
  • properties 道具