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). The first statistician to consider a methodology for the design of experiments was Sir Ronald A. Fisher. ... Calibration refers to the process of setting the magnitude of the output (or response) of a measuring instrument to the magnitude of the input property or attribute within specified accuracy and precision. ... Signal processing is the processing, amplification and interpretation of signals and deals with the analysis and manipulation of signals. ... A graph of a bell curve in a normal distribution showing statistics used in educational assessment, comparing various grading methods. ... Pattern recognition is a field within the area of machine learning. ... A mathematical model is an abstract model that uses mathematical language to describe the behaviour of a system. ...
Chemometrics tries to build a bridge between the methods and their application in chemistry.
Cheminformatics is the use of computer and informational techniques, applied to a range of problems in the field of chemistry. ... It has been suggested that this article or section be merged into Quantitative structure-activity relationship. ...
External link
An Introduction to Chemometrics: http://home.neo.rr.com/catbar/chemo/int_chem.htm
Chemometrics is the application of mathematical or statistical methods to chemical data.
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.
Chemometrics tries to build a bridge between the methods and their application in chemistry.
Chemometrics itself can be defined as the application of mathematical, statistical, graphical or symbolic methods to maximize the chemical information which can be extracted from data.
One of the primary goals of chemometrics is to reduce the number of dimensions needed to accurately portray the characteristics of the data set.
In some sense, most chemometric techniques are statistical in nature; a separate statistical category serves as a catch-all for those techniques which don't comprise a category of their own in chemometrics.
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