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Advanced Chemometrics Software for use with MATLAB®

PLS_Toolbox software is the world’s most extensive suite of multivariate and machine learning tools for chemometric applications within the MATLAB® computational environment. Not a MATLAB® user? The same powerful tools area available with our stand-alone product, Solo.

PLS_Toolbox provides a unified graphical interface and over 300 tools for use in a wide variety of technical areas. It takes its name from the Partial Least Squares (PLS) regression method, which has become the standard calibration method in many calibration and modelling applications, but offers so much more. It contains all the software tools chemical engineers, analytical chemists and other data scientists require to fully utilize their data and build predictive models.

Key Methods Included:

  • Data Exploration and Pattern Recognition (Principal Components Analysis (PCA), Uniform Manifold Approximation and Projection (UMAP), t-distributed Stochastic Neighbor Embedding (t-SNE), Parallel Factor Analysis (PARAFAC), ANOVA Simultaneous Components Analysis (ASCA), Multiway PCA, Tucker Models…)
  • Classification (SIMCA, k-nearest neighbors, PLS Discriminant Analysis (PLS-DA), Support Vector Machine Classification (SVM-DA), Artificial Neural Network Classification (ANN-DA), Boosted Regression and Classification Trees (XGBoost), Clustering (HCA)…)
  • Linear and Non-Linear Regression (Partial Least Squares (PLS), Principal Components Regression (PCR), Multiple Linear Regression (MLR), Classical Least Squares (CLS), Support Vector Machine (SVM) Regression, Artificial Neural Networks (ANNs), Boosted Regression and Classification Trees (XGBoost), N-way PLS, Locally Weighted Regression…)
  • Design of Experiment (DOE) tools for designing and analyzing experiments
  • Self-modeling Curve Resolution, Pure Variable Methods (Multivariate Curve Resolution (MCR), Purity (compare to SIMPLSMA), CODA_DW, CompareLCMS…)
  • Curve fitting and Distribution fitting and analysis tools
  • Instrument Standardization (Piece-wise Direct, Windowed Piecewise Direct, OSC, Spectral Subspace Transformation (SST), Generalized Least Squares Preprocessing…)
  • Advanced Graphical Data Set Editing and Visualization Tools
  • Advanced Customizable Order-Specific Preprocessing (Centering, Scaling, Smoothing, Derivatizing, Transformations, Baselining…)
  • Missing Data Support (SVD and NIPALS)
  • Variable Selection (Genetic algorithms, IPLS, Selectivity, VIP…)

Plus all the cutting edge tools you’ve come to expect from Eigenvector Research! All with source code allowing the advanced user to view and understand the techniques – no more black-box analyses.

Works How You Want and How You Need

Most of the time users prefer to point-and-click their way through data editing and modelling tasks. But sometimes users need to incorporate data crunching and visualization functions in their own MATLAB code in order to automate or customize analyses. PLS_Toolbox lets you work both ways! It includes very sophisticated interfaces which allow users to tackle almost any modeling task. But it also lets users access all the functionality via the command line with its powerful and well documented object-oriented code.

Find out more about working with interfaces, and about working with the command line.

System Requirements

In general, Eigenvector products should work on most modern computers. See our installation instructions (https://wiki.eigenvector.com/index.php?title=Installation) for detailed information.

PLS_Toolbox does not require any other MATLAB toolboxes but will make use of the Parallel Computing Toolbox in certain scenarios if present.

Product Support

Eigenvector Research offers user support for PLS_Toolbox by e-mail at helpdesk@eigenvector.com. Questions are almost always answered within 24 hours (and usually much less). Updates and bug fixes will be available for users to download from our web site. For information on other support options, see our technical support page.

Get More Information

Order PLS_Toolbox

For information on multi-client servers, site-licenses, and OEM options, contact us by phone (509.662.9213) or e-mail (sales@eigenvector.com)Our product pricelist information page includes pricing and other order information for all of our products.