Kohonen and CPANN toolbox: new release!

A new release of the Kohonen and CPANN toolbox (4.6) is now available. In this release, GPU and CPU calculation has been improved. The Kohonen and CPANN toolbox for MATLAB is a collection of MATLAB modules for training Kohonen Maps (Self Organising Maps, SOMs), Counterpropagation Artificial Neural networs (CPANNs), Supervised Kohonen networks (SKN), XY-fused networks (XY-F). It can be downloaded here: https://michem.unimib.it/download/matlab-toolboxes/kohonen-and-cpann-toolbox-for-matlab/

Characterization of pyrite weathering with Raman hyperspectral imaging and chemometrics

Here our latest poublication, which was the first product of the PhD project of Emmanuel Cruz in collaboration with the Laboratory for Provenance Studies (University of Milano-Bicocca), the Department of Analytical Chemistry (University of the Basque Country) and IKERBASQUE (Basque Society for the Promotion of Science):

Cruz Muñoz, E., Gosetti, F., Ballabio, D., Andò, S., Gómez-Laserna, O., Amigo, J.M., Garzanti, E. (2023) Characterization of pyrite weathering products by Raman hyperspectral imaging and chemometrics techniques. Microchemical Journal, 190, 108655 [link]

Condensed Phase Membrane Introduction Mass Spectrometry (MIMS): a review!

Membrane introduction mass spectrometry (MIMS) is a direct mass spectrometry technique used to monitor online chemical systems or quickly quantify trace levels of different groups of compounds in complex matrices without extensive sample preparation steps and chromatographic separation. Here a recent review:

V. Termopoli, M. Piergiovanni, D. Ballabio, V. Consonni, E. Cruz Muñoz, F. Gosetti (2023) Condensed phase membrane introduction mass spectrometry: a direct alternative to fully exploit the mass spectrometry potential in environmental sample analysis, Separations, 10, 139, https://doi.org/10.3390/separations10020139

New chapter: tutorial for multitask learning for QSAR

We have published a new chapter, which is a tutorial for training multitask neural networks in the framework of QSAR modelling, have a look here: https://doi.org/10.1007/978-3-031-20730-3_8

Valsecchi, C., Grisoni, F., Consonni, V., Ballabio, D., Todeschini, R. (2023). Multitask Learning for Quantitative Structure–Activity Relationships: A Tutorial. In Machine Learning and Deep Learning in Computational Toxicology. Computational Methods in Engineering & the Sciences. (Hong, H., eds), Springer

11th Colloquium Chemiometricum Mediterraneum

The 11th Colloquium Chemiometricum Mediterraneum (CCM XI 2023) will take place in Padova (Italy) from 27 till 30 June 2023. The conference brings an outstanding and unique opportunity for exchanging knowledge on leading edge developments. The 11th Colloquium Chemiometricum Mediterraneum welcomes all contributions on classical tools and new tools in Chemometrics. The website of the conference is the following: https://ccm2023.gruppochemiometria.it/

Chemometrics Open Day 2023

Il Gruppo Divisionale di Chemiometria della Divisione di Chimica Analitica della Società Chimica Italiana organizza un appuntamento per l’approfondimento di tematiche di interesse chemiometrico: Chemometrics Open Day – La Chemiometria oggi, che si svolgerà giovedì 9 febbraio 2023 dalle ore 9.00.
Alla opening lecture del prof. Telmo Pievani (filosofo della Scienza, evoluzionista e divulgatore scientifico), seguirà una sessione di presentazioni e testimonianze dell’utilizzo e applicazione della chemiometria in vari contesti industriali ed infine un momento di discussione.

Informazioni e form per la registrazione all’evento sono disponibili al seguente link: https://www.gruppochemiometria.it/index.php/chemometrics-open-day