Milano Chemometrics and QSAR Research Group
Department of Earth and Environmental Sciences – University of Milano-Bicocca
Thursday 9 November 2023 at the Istituto Lombardo – Accademia di Scienze e Lettere in Milan prof. Todeschini was invited to hold a conference on the scientific activity of his great-grandfather prof. Wilhelm Körner entitled “Wilhelm Körner: dalla molecola alla struttura molecolare”. Slides are available at this link.
Multi-task neural networks and molecular fingerprints to enhance compound identification from LC-MS/MS data, Molecules (2022), 27, 5827 [link]. Data to reproduce the results are available at our website: https://michem.unimib.it/download/data/lc-ms-ms-to-fingerprints-dataset/
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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. |
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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! |
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Visit the download page, where you can find softwares, MATLAB toolboxes 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. |