Workshop 2012

7 September 2012 – Room BC.02

10h40 Building Advanced Models for Fragrance & Flavor ingredients, Guillaume Godin (Firmenich, Geneva)
11h00 Knowledge organization: Ontology building for description in words of visual perceptions, Alain Krief (FUNDP, Belgium)
11h20 Intelligent Automatic Bioisoteric Design (or How to Win Cresset’s Design a Molecule Competition!), Peter Ertl (Novartis, Basel)
11h40 Visualizer: An open source HTML5 project for data mining, Norman Pellet (EPFL, Lausanne)
12h00-14h00 Lunch offered by MDPI
14h00 Torsion Explorer, free and easy conformational analysis based on the Cambridge Structural Database, Thomas Sander (Actelion, Basel)
14h20 The chemical space mapplet: interactive access to millions of molecules on your desktop, Mahendra Awale (University Bern)
14h40 Similarity of spectra, Andres Mauricio (EPFL, Lausanne)
15h00 Coffee break
15h40 Boring and less boring molecules. About of complexity and self similarity of molecules in drug discovery, Modest Korff (Actelion, Basel)
16h00 Hyperflexible, massively distributed sampling & docking: the challenge, Dragos Horvath (University Strasbourg, France)
16h20 Selection of a HTS library, Ruud van Deursen (EPFL, Lausanne)
  Aperitif and dinner