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Milano Chemometrics and QSAR Research Group

Milano Chemometrics and QSAR Research Group

Department of Earth and Environmental Sciences – University of Milano-Bicocca

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Category Archives: Scientific publications

Machine Learning to predict the binding to the Androgen Receptor

Posted on 30 May 2019

Have a look to our latest publication: Grisoni, F., Consonni, V., Ballabio, D. (2019) Machine Learning Consensus to Predict the Binding to the Androgen Receptor within the CoMPARA project. Journal of chemical information and modeling, 59, 1839-1848 [link]

Data related to these models are available for download.

Posted in News, Scientific publications

High-level data fusion

Posted on 27 May 2019

New chapter: Recent advances in High-Level Fusion Methods to classify multiple analytical chemical data (published in in Data Fusion Methodology and Applications, Elsevier).
Have a look!!!

Posted in News, Scientific publications

New Michem publication on misleading use of regression metrics

Posted on 17 April 2019

Glad our publication is now availale: On the misleading use of Q2F3 for QSAR model comparison, Molecular Informatics (2019), 38, 1800029. Have a look!

Posted in News, Scientific publications

Structural alerts for the identification of bioaccumulative compounds

Posted on 3 January 2019

Now publushed on Integrated Environmental Assessment and Management a paper on structural alerts for the identification of bioaccumulative compounds, check it out here. Data and a KNIME workflow to apply the proposed decision system based on structural alerts are available for download.

Posted in Scientific publications

QSAR to predict bioactivity of ACE-inhibitor peptides

Posted on 3 January 2019

Now publushed on Protein & Peptide Letters a paper on QSAR models for the prediction of the bioactivity of ACE-inhibitor peptides, check it out here.

Posted in Scientific publications

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Department of Earth and Environmental Sciences
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Last update on January 3rd, 2019 at 12:36 pm

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