Si segnala il seminario del Prof. Massimo Buscema (University of Colorado & SEMEION) “Real deep learning and artificial neural networks”, Lunedì 25 marzo 2019, Ore 15:00, Edificio U1 – Aula Marchetti, Università Milano – Bicocca (P.zza della Scienza, 1, 20126 Milano, Italy). A seguire, la Dr.ssa Francesca Grisoni (ETH Zurich, Dept. of Chemistry and Applied Biosciences) presenterà un case study dal titolo: “Recurrent Neural Networks for de novo drug design”. Maggiori informazioni e locandina del seminario.
News
Kohonen and CPANN toolbox: new release
A new version of the Kohonen and CPANN toolbox (for MATLAB) is now available for download. This 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). In this new release, the graphical interface has been improved. Now forms with plots can be resized, classes can be loaded both as numerical or string arrays. Assignation method based on class threshold and ROC curves has been introduced. Validation based on Montecarlo random sampling has been added. Have fun!
Job opportunity – Research Informatics & Data Expert
Job opportunity at Roche as Research Informatics & Data Expert: https://www.linkedin.com/jobs/view/1071685102/
Structural alerts for the identification of bioaccumulative compounds
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.
QSAR to predict bioactivity of ACE-inhibitor peptides
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.
PCA toolbox: new release
A new version of the PCA toolbox (for MATLAB) is now available for download. This is a collection of MATLAB modules for calculating unsupervised multivariate models for data structure analysis: Principal Component Analysis (PCA), Multidimensional Scaling (MDS) and Cluster Analysis. In this new release, the graphical interface has been improved. Now forms with plots can be resized, classes can be loaded both as numerical or string arrays, visualisation of class potential in the score plots was added. Have fun!
JRC Summer School on Non-Animal Approaches in Science
The European Commission’s Joint Research Centre (JRC) is organising a JRC Summer School on “Non-Animal Approaches in Science: Challenges and Future Directions”, to be held from 21 to 24 May 2019 at the JRC site in Ispra (Italy).
Classification toolbox: new release
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!
Special issue “QSAR and Chemoinformatics Tools for Modeling”
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Prof. Roberto Todeschini is guest editor of the special issue “QSAR and Chemoinformatics Tools for Modeling” for the International Journal of Molecular Science. More details here. |
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