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Exploratory chemometric analysis of the classification of pharmaceutical substances based on chromatographic data

Authors
Journal
Journal of Chromatography A
0021-9673
Publisher
Elsevier
Publication Date
Volume
897
Identifiers
DOI: 10.1016/s0021-9673(00)00803-7
Disciplines
  • Biology
  • Pharmacology

Abstract

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.

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