Matlab toolboxes

Regression toolbox (for MATLAB): collection of MATLAB modules for calculating regression multivariate models: Ordinary Least Squares (OLS), Partial Least Squares (PLS), Principal Component Regression (PCR), Ridge regression, local regression based on K Nearest Neighbours (KNN) and Binned Nearest Neighbours (BNN) approaches, and variable selection approaches (All Subset Models, Forward selection, Genetic Algorithms and Reshaped Sequential Replacement).

Bayes and majority voting consensus (for MATLAB): collection of MATLAB modules for calculating consensus (high level data fusion)

Classification toolbox (for MATLAB): collection of MATLAB modules for calculating classification (supervised pattern recognition) multivariate models: Discriminant Analysis, Partial Least Square Discriminant Analysis (PLSDA), Classification trees (CART), K-Nearest Neighbors (kNN), Potential Functions (Kernel Density Estimators), Support Vector Machines (SVM), Soft Independent Modeling of Class Analogy (SIMCA), Backpropagation Neural Networks (BPNN).

PCA toolbox (for MATLAB): collection of MATLAB modules for calculating unsupervised multivariate models for data structure analysis: Principal Component Analysis (PCA), Multidimensional Scaling (MDS) and Cluster Analysis.

Drape toolbox (for MATLAB): collection of MATLAB modules for calculating Deep Ranking Analysis by Power Eigenvectors (DRAPE)

Virtual screening toolbox (for MATLAB): collection of MATLAB modules for performing virtual screening with two different approaches (MADS and weighting scheme).

N3-BNN toolbox (for MATLAB): collection of MATLAB modules for calculating N3 (N-Nearest Neighbours), BNN (Binned Nearest Neighbours) and kNN (k Nearest Neighbours) classification methods.

Kohonen and CPANN toolbox (for MATLAB): collection of MATLAB modules for developing Kohonen Maps and Counterpropagation Artificial Neural networs (CPANNs), Supervised Kohonen networks and XY-fused networks.

The V-WSP variable reduction for MATLAB is a routine for calculating unsupervised variable reduction based on V-WSP algorithm.

Reshaped Sequential Replacement Toolbox (for MATLAB): collection of MATLAB modules for carrying out variable selection based on the Reshaped Sequential Replacement (RSR) algorithm.

Applicability Domain toolbox (for MATLAB): collection of MATLAB modules for calculating the Applicability Domain (AD) of a set of samples and verify if test samples are inside or outside the AD.

MOLMAP multiway toolbox (for MATLAB): collection of MATLAB modules for calculating MOLMAP scores on multiway data.

Matlab modules for Caiman (Classification And Influence Matrix ANalysis): a classification method exploiting the properties of the diagonal terms of the influence matrix.

Matlab modules for Hasse distances: a novel chemometric approach based on the partial ordering technique and the Hasse matrix.

Matlab modules for Variable Reduction Testbench: for the application of several methods for variable reduction based on correlation analysis

Distance-based optimal design (for MATLAB): routine for Distance-based optimal design divides a set of samples in two sets (training set and a complementary set).