Chemometrics Software

To do chemometrics, you could choose to either build your own software/worksheet or use third-party software. In this post I will tell you about some pros and cons of widely used software and the function requirements.

Techniques used in chemometrics include:

  • Linear Regression (linreg)
  • Non-Linear Regression (polynomial and exponential)
  • Principal components Analysis (PCA)
  • Partial least squares scores (PLS)
  • Experimental design (factorial design)
  • Multivariate Analysis

The software I looked at is expensive, but with cheaper student versions available.

  • Minitab
  • SPSS
  • SAS

For both SPSS and SAS you need extra`s. While there is only one version of Minitab.

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