Our group has been developing polymer-based chemical fingerprinting systems to target multiple analytes of environmental relevance, including organophosphates, heavy metal cations, and polycyclic aromatic hydrocarbons in aqueous and even high-salinity  environments. Multichannel detection of predominantly spectroscopic signals leads to large data sets; we will discuss the application of very simple factor analysis methods (principal component analysis, linear discriminant analysis) for data reduction and representation, as well as for analytical clustering.

Simple clustering and reduction methods in analytical fingerprinting for environmental applications

ACS Fall 2021

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