PCA toolbox: new release

A new version of the PCA toolbox (for MATLAB) is now available for download. This is a collection of MATLAB modules for calculating unsupervised multivariate models for data structure analysis: Principal Component Analysis (PCA), Multidimensional Scaling (MDS) and Cluster Analysis. In this new release, the graphical interface has been improved. Now forms with plots can be resized, classes can be loaded both as numerical or string arrays, visualisation of class potential in the score plots was added. Have fun!

Classification toolbox: new release

A new version of the Classification toolbox (for MATLAB) is now available for download. The Classification toolbox for MATLAB is a 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), class modeling Potential Functions (Kernel Density Estimators), Support Vector Machines (SVM), Unequal class models (UNEQ) and Soft Independent Modeling of Class Analogy (SIMCA). In this new release, the graphical interface has been improved. Now forms with plots can be resized and classes can be loaded both as numerical or string arrays. Have fun!

Milano Chemometrics cited in a book

“Bella e Potente: La chimica dagli inizi del Novecento ai giorni nostri” by Luigi Cerruti (Editori Riuniti University Press) outlines the history of chemistry of the last century until now. Two pages of the book are dedicated to our research group for the fundamental role played in the field of molecular descriptors. [read more…]

QSAR for REACH

Milano Chemometrics has been involved in several projects related to the use of QSAR for the REACH registration of chemicals. If you are interested in collaboration on these topics, read here.