title: Exploratory chemometric analysis of the classification of pharmaceutical substances based on chromatographic data.
abstract: A chemometric study has been conducted on a published data set consisting of the retention times of 83 substances, from five pharmacological families, on eight HPLC systems. Principal component analysis, clustering and sequential projection pursuit were applied. In this way it was investigated to what extent the combination of chromatography and chemometrics allows one to make conclusions about pharmacological activities of (candidate) drugs and what the contribution is of the different HPLC systems considered.
authors: ChemoAC, Department of Pharmaceutical and Biomedical Analysis, Pharmaceutical Institute, Vrije Universiteit Brussel, Brussels, Belgium.
authors: A
authors: A
authors: Detroyer
authors: V
authors: V
authors: Schoonjans
authors: F
authors: F
authors: Questier
authors: Y
authors: Y
authors: Vander Heyden
authors: A P
authors: AP
authors: Borosy
authors: Q
authors: Q
authors: Guo
authors: D L
authors: DL
authors: Massart
mesh_terms: D002851:Chromatography, High Pressure Liquid / Q000379:methods*; D016000:Cluster Analysis; D008970:Molecular Weight; D004364:Pharmaceutical Preparations / Q000737:chemistry* / Q000145:classification*
chemical_list: D004364:Pharmaceutical Preparations