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 |