Chemometrics
The International Chemometrics
Society defines chemometrics as “the science of relating measurements made on
a chemical system or process to the state of the system via application of
mathematical or statistical methods”. The aim is to extract maximum useful
information from the extensive data that modern analytical methods and
techniques are now capable of providing. Data collection in analytical science
involves recording many measurements on many samples, and traditionally these
data have been analysed using one or two variables at a time. Chemometrics
describes the development and application of multivariate processing techniques
to data manipulation and analysis.
The application of chemometrics generally fall into one of
three basic areas:
- To
seek and identify patterns of similarity in data;
- To
quantitatively determine, monitor and track properties of materials (oftenon
a continuous basis);
- To
develop and employ appropriate multivariate classification models as
diagnostic and decision making tools.
The algorithms in use in the field have demonstrated a significant capacity
for analyzing and modeling a wide assortment of data types for a diverse set of
applications involving chromatographic, spectroscopic and electrochemical
measurement techniques.
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