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!
News
Special issue âQSAR and Chemoinformatics Tools for Modelingâ
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Prof. Roberto Todeschini is guest editor of the special issue âQSAR and Chemoinformatics Tools for Modelingâ for the International Journal of Molecular Science. More details here. |
Milano Chemometrics on Twitter
Follow Milano Chemometrics on twitter. We’ll update the profile with news on conferences, publications and new developments on chemometrics, QSAR and chemical modelling.
Workshop italiano di Chemiometria 2019
Workshop italiano di chemiometria, 25-27 Febbraio 2019, Bergamo (Italia)
Milano Chemometrics cited in a book
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âBella e Potente: La chimica dagli inizi del Novecento ai giorni nostriâ 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…] |
Former PhD student won the Lush Prize for alternative methods
We are glad to announe that our former PhD student Kamel Mansouri recently won the Lush Prize 2017 for Young Researchers to develop alternative methods to animal testing.
QSAR for REACH
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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. |
Molecular Descriptors Data Base
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The MOLE db – Molecular Descriptors Data Base is a free on-line database constituted of 1124 molecular descriptors calculated on 234773 molecules, released by Milano Chemometrics and QSAR Research Group: explore the MOLE db data base here! |
Handbook of Bibliometric Indicators
The book “Handbook of Bibliometric Indicators: Quantitative Tools for Studying and Evaluating Research”, published by Wiley and written by Roberto Todeschini and Alberto Baccini is now available. This is the first systematic guide to the growing jungle of citation indices and other bibliometric indicators. Further info here.
Chemometrics and QSAR applied to molecules of biological interest
The course Chemometrics and QSAR applied to molecules of biological interest will be held by Milano Chemometrics in Cuenca (Ecuador) on 25 january – 10 february 2016.