Identifying bioactive components in natural products through chromatographic fingerprint

Jian Xu, Qing Song Xu, Chi On Chan, Kam Wah Mok, Lun Zhao Yi, Foo Tim Chau

Research output: Journal article publicationJournal articleAcademic researchpeer-review

16 Citations (Scopus)


Bioactive component identification is a crucial issue in search for new drug leads. We provide a new strategy to search for bioactive components based on Sure Independence Screening (SIS) and interval PLS (iPLS). The method, which is termed as SIS-iPLS, is not only able to find out the chief bioactive components, but also able to judge how many components should be there responsible for the total bioactivity. The method is totally "data-driven" with no need for prior knowledge about the unknown mixture analyzed, therefore especially suitable for effect-directed work like bioassay-guided fractionation. Two data sets, a synthetic mixture system of twelve components and a suite of Radix Puerariae Lobatae extracts samples, are used to test the identification ability of the SIS-iPLS method.
Original languageEnglish
Pages (from-to)45-55
Number of pages11
JournalAnalytica Chimica Acta
Issue number1
Publication statusPublished - 1 Jan 2015


  • Bioassay-guided fractionation
  • Herbal medicine
  • Interval partial least squares regression
  • Quantitative pattern-activity relationship
  • Sure Independence Screening

ASJC Scopus subject areas

  • Analytical Chemistry
  • Biochemistry
  • Environmental Chemistry
  • Spectroscopy


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