Milano Chemometrics cited in a book    

Virtual screening toolbox for Matlab
is now available

New book: Handbook of Bibliometric Indicators

Molecular Descriptors for Chemoinformatics

Molecular descriptors website released by Milano Chemometrics International Academy of Mathematical Chemistry

VCC-LAB, Virtual Computational Chemistry Laboratory

Past and present visitors list
“Bella e Potente: La chimica dagli inzizi 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...]
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.
 QSAR for colours
An agreement has been finalised with REACH&Colours Italia Srl (Milano) with the aim of developing a new software for the study of organic dyes, read here.
 MOLE db - Molecular Descriptors Data Base
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!
 Download software and data
Visit our download page, where you can find softwares, MATLAB routines and datasets you can freely download: N3-BNN toolbox, PCA toolbox, Kohonen and CPANN toolbox, Classification toolbox, Applicability Domain toolbox, RSR toolbox for variable selection .