Presentazione di PowerPoint

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Martin Waldseemüller's World Map of 1507
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Milano Chemometrics and QSAR Research Group
Roberto Todeschini
Viviana Consonni Davide
Ballabio Andrea Mauri Alberto Manganaro
chemometrics molecular descriptors QSAR multicrite
ria decision making environmetrics experimental
design artificial neural networks statistical
process control
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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

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Software
DRAGON Ver. 5.5 Calculation of 3224 molecular
descriptors
Talete srl
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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
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Software
DART Software for multicriteria decision
making by ranking methods
Talete srl
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michem.disat.unimib.it/chm/
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www.moleculardescriptors.eu
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www.iamc-online.org/
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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)

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Martin Waldseemüller's World Map of 1507
15
Milano Chemometrics and QSAR Research Group
Roberto Todeschini
Viviana Consonni Davide
Ballabio Andrea Mauri Alberto Manganaro
chemometrics molecular descriptors QSAR multicrite
ria decision making environmetrics experimental
design artificial neural networks statistical
process control
16
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

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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)