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Martin Waldseemüller's World Map of 1507 Zanjan. Roberto Todeschini Viviana Consonni Davide Ballabio Andrea Mauri Alberto Manganaro chemometrics molecular.

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Presentation on theme: "Martin Waldseemüller's World Map of 1507 Zanjan. Roberto Todeschini Viviana Consonni Davide Ballabio Andrea Mauri Alberto Manganaro chemometrics molecular."— Presentation transcript:

1 Martin Waldseemüller's World Map of 1507 Zanjan

2 Roberto Todeschini Viviana Consonni Davide Ballabio Andrea Mauri Alberto Manganaro chemometrics molecular descriptors QSAR multicriteria decision making environmetrics experimental design artificial neural networks statistical process control Milano Chemometrics and QSAR Research Group Department of Environmental Sciences University of Milano - Bicocca P.za della Scienza, 1 - 20126 Milano (Italy) Website: michem.unimib.it/chm/

3  Studies about correlation and distance measures  Studies about representation of sequential data  Studies about Kohonen maps  Studies about applicability domain  Studies about ranking methods  New molecular descriptors  Development of DRAGON software for molecular descriptors  Development of MobyDigs software for modelling New researches in progress ….

4 Software DRAGON Ver. 5.5 Calculation of 3224 molecular descriptors Talete srl

5 Software MobyDigs Software for the calculation of regression models by genetic algorithms for variable selection aimed to obtain an optimal subset of predictive modelsMOBYDIGS Talete srl

6 Software DART Software for multicriteria decision making by ranking methods Talete srl

7 michem.disat.unimib.it/chm/

8 www.moleculardescriptors.eu

9 www.iamc-online.org/

10  Introduction to Molecular Descriptors and QSAR (RT)  Kohonen maps and Counter-Propagation Artificial Neural Networks Toolbox for MATLAB (DB)  MOLMAP: a Chemometric Strategy based on the Kohonen Maps (DB)  Distance and Correlation Measures between Sets of Variables (RT)  Comments about the External Validation (RT)  Introduction to Molecular Descriptors and QSAR (RT)  Kohonen maps and Counter-Propagation Artificial Neural Networks Toolbox for MATLAB (DB)  MOLMAP: a Chemometric Strategy based on the Kohonen Maps (DB)  Distance and Correlation Measures between Sets of Variables (RT)  Comments about the External Validation (RT) Lectures in Zanjan

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14 Martin Waldseemüller's World Map of 1507 Shiraz

15 Roberto Todeschini Viviana Consonni Davide Ballabio Andrea Mauri Alberto Manganaro chemometrics molecular descriptors QSAR multicriteria decision making environmetrics experimental design artificial neural networks statistical process control Milano Chemometrics and QSAR Research Group Department of Environmental Sciences University of Milano - Bicocca P.za della Scienza, 1 - 20126 Milano (Italy) Website: michem.unimib.it/chm/

16  Studies about correlation and distance measures  Studies about representation of sequential data  Studies about Kohonen maps  Studies about applicability domain  New molecular descriptors  Development of DRAGON software for molecular descriptors  Development of MobyDigs software for modelling New researches in progress ….

17  Introuction to QSAR and Molecular Descriptors (RT)  Similarity/Diversity for Sequential Data (DB)  MOLMAP: a Chemometric Strategy based on the Kohonen Maps (DB)  Distance and Correlation Measures between Sets of Variables (RT)  Comments about the External Validation (RT)  Introuction to QSAR and Molecular Descriptors (RT)  Similarity/Diversity for Sequential Data (DB)  MOLMAP: a Chemometric Strategy based on the Kohonen Maps (DB)  Distance and Correlation Measures between Sets of Variables (RT)  Comments about the External Validation (RT) Lectures

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