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Chemometrics is the application of mathematical or statistical methods to chemical data. The International
Chemometrics Society (ICS) offers the following definition:
Chemometrics is 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.
Chemometric research spans a wide area of different methods which can be applied in chemistry. There are techniques for
collecting good data (optimization of experimental parameters, design of experiments, calibration, signal processing) and for getting information from these data (statistics, pattern
recognition, modeling, structure-property-relationship estimations).
Chemometrics tries to build a bridge between the methods and their application in chemistry.
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