Chemometrics Toolbox

High-productivity calibration tools


  • More than 70 specialized MATLAB functions for chemometric calibration
  • Classical and inverse least squares (CLS and ILS)
  • Principal component regression and partial least squares (PCA, PCR, and PLS)
  • Indicator and diagnostic functions
  • Plotting and visualization functions
  • Keystroke-by-keystroke introductory tutorial


The Chemometrics Toolbox provides more than 70 specialized MATLAB® functions for chemometric calibration. It enables users to perform quantitative and qualitative analysis using powerful methods such as multiple linear regression, principal component regression, and partial least squares in latent variables. Chemometrics organizes chemical data into matrices so that it can be processed to create calibrations or extract useful information. This makes MATLAB an ideal environment for chemometrics. 

The Chemometrics Toolbox provides a comprehensive array of the functions needed by chemists, biologists, scientists, and engineers to develop and validate calibrations used with sophisticated process analyzers and laboratory instruments. Designed to enhance productivity, the Chemometrics Toolbox provides the tools that enable users to quickly and easily apply chemometric techniques to data, allowing them to perform quantitative and qualitative analysis on their applications while maintaining confidence in the math.  

To simplify industrial deployment of calibrations and to eliminate version-related maintenance issues, the Chemometrics Toolbox remains compatible with all versions of MATLAB running on all platforms.

Applied Chemometrics, Inc.

PO Box 100
Sharon, MA 02067
Tel: 781-784-7700
Fax: 781-784-7700

Required Products


  • Macintosh
  • UNIX
  • Windows


  • Consulting
  • E-mail
  • Fax
  • On-site assistance
  • Telephone
  • Training

Product Type

  • Data Analysis Tools


  • Data Analysis and Statistics
  • Process Control and Monitoring
  • Spectroscopy


  • Biotech and Pharmaceutical
  • Chemical and Petroleum
  • Instrumentation and Test