14 September 2007 – Room CH.B3.30
| 10h30 | Virtual Exploration of Chemical Space by Guided Travel between Reference Structures, Ruud van Deursen (Bern University) | |
| 10h50 | Natural Product-likeness Score and Its Application for Prioritization of Compound Libraries , Peter Ertl (Novartis, Basel) | |
| 11h10 | Why the classification by PLS, SVM and k-NN lead to identical results in chemical fingerprint descriptor space , Modest von Korff (Actelion, Basel) | |
| 11h30 | Canonicalization and Mesodetection with MDL’s Enhanced Stereo Recognition, Thomas Sander (Actelion, Basel) | |
| 11h50-14h00 | Lunch | |
| 14h00 | EMERALD: an integrated in-house tool for reagent selection and combinatorial library design, Isabelle Ortmans (Union Chimique Belge, Braine-l’Alleud, Belgium) | |
| 14h20 | How to replace your entire Informatics infrastructure in 18 months. Dan Chapman (Union Chimique Belge, Cambridge, UK) | |
| 14h40 | Believe or don’t believe: or How could we estimate a confidence of ADME/T predictions?. Igor Tetko (Institute for Bioinformatics, Neuherberg, Germany) | |
| 15h00 | Coffee break | |
| 15h40 | Towards automatic assignment of NMR spectra. Marco Engeler (EPFL, Lausanne) | |
| 16h00 | Evolving solutions. Damiano Banfi (EPFL, Lausanne) | |
| 16h20-17h00 | Round table about the chemical information and shared interests of the attendees. | |
| Aperitif and dinner |