170 likes | 331 Views
Zanjan. Martin Waldseemüller's World Map of 1507. Department of Environmental Sciences University of Milano - Bicocca P.za della Scienza, 1 - 20126 Milano (Italy) Website: michem.unimib.it/chm/. Milano Chemometrics and QSAR Research Group.
E N D
Zanjan Martin Waldseemüller's World Map of 1507
Department of Environmental Sciences University of Milano - Bicocca P.za della Scienza, 1 - 20126 Milano (Italy) Website: michem.unimib.it/chm/ Milano Chemometrics and QSAR Research Group 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
New researches in progress …. • 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
Software DRAGON Ver. 5.5 Calculation of 3224 molecular descriptors Talete srl
MOBYDIGS Software MobyDigs Software for the calculation of regression models by genetic algorithms for variable selection aimed to obtain an optimal subset of predictive models Talete srl
Software DART Software for multicriteria decision making by ranking methods Talete srl
Lectures in Zanjan • 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)
Shiraz Martin Waldseemüller's World Map of 1507
Department of Environmental Sciences University of Milano - Bicocca P.za della Scienza, 1 - 20126 Milano (Italy) Website: michem.unimib.it/chm/ Milano Chemometrics and QSAR Research Group 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
New researches in progress …. 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
Lectures • 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)