Chemometrics

Abstract

  Chemometrics, a discipline of analytical chemistry extracting information from chemical systems based on statistics and multivariate analysis, is briefly Typical data analyses in chemistry, dimensionality reduction, clustering, regression and classification, were demonstrated using multivariate data obtained by instrumental analysis such as spectra by optical method and chromatogram by separation analysis. Numerical computations in chemometrics using Python language assisted by a machine learning library of scikit-learn are also overviewed.