Please use this identifier to cite or link to this item: http://hdl.handle.net/10397/14754
Title: Identifying bioactive components in natural products through chromatographic fingerprint
Authors: Xu, J
Xu, QS
Chan, CO
Mok, DKW 
Yi, LZ
Chau, FT
Keywords: Bioassay-guided fractionation
Herbal medicine
Interval partial least squares regression
Quantitative pattern-activity relationship
Sure independence screening
Issue Date: 2015
Publisher: Elsevier
Source: Analytica chimica acta, 2015, v. 870, no. 1, p. 45-55 How to cite?
Journal: Analytica Chimica Acta 
Abstract: 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.
URI: http://hdl.handle.net/10397/14754
ISSN: 0003-2670
DOI: 10.1016/j.aca.2015.02.030
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