Chemometrics

Under chemometrics or chemometrics is defined as the part of the chemical discipline that deals with the application of mathematical and statistical methods to plan for an optimally chemical methods and experiments to develop or select. On the other hand, are extracted to chemical information from experimental data with chemometric methods a maximum. For example, spectra of the near-infrared spectroscopy can be evaluated only by means of chemometrics.

As mathematical tools are in the area of ​​multivariate data analysis, among others, the following methods are available

  • PCA
  • Cluster analysis
  • Multiple linear regression.

To be included as a further area would be the subject of LIMS (Laboratory Information Management System), which deals with the computational support of laboratory internal processes, such as

  • Sample management
  • Readings evaluation and management
  • Settlement of measuring jobs
  • Quality Management
  • Documentation of the investigations
  • Archiving and backup tasks.

The chemometrics thus provides a bridge between the mathematical analysis of the one part and raw analytical evaluation of the economic other hand dar.

Chemistry Mathematics Principal component analysis Biochemistry Bioinorganic chemistry Biogeochemistry Biophysical chemistry Electrochemistry Femtochemistry Geochemistry Nuclear chemistry Clinical chemistry Interface and colloid science Combinatorial chemistry Magnetochemistry Medicinal chemistry Marine chemist Quantum chemistry Stereochemistry Thermochemistry Integrated Authority File
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