Workshop 2016

9 September 2016 – BC.01

11h00 A multi-fingerprint browser for target prediction. Mahendra Awale (Bern University)
11h20 Exploring molecular formula from PubChem. Michael Zasso (EPFL)
11h40 Revealing the secrets of sampling for diverse subsets, Modest von Korff (Actelion, Basel)
12h00-14h00 Lunch offered by MolMall
14h00 Efficient molecular surfaces with enhanced marching cubes avoiding skinny and tiny triangles, Thomas Sander (Actelion, Basel)
14h20 Interactive Visualization of Large High-Dimensional SureChEMBL Data Sets on the Web. Daniel Probst (Bern University)
14h40 Prediction of Allosteric Sites on Proteins, Michael Sternberg (Imperial College London)
15h00 Coffee break
15h40 Self learning of NMR spectra sssignment, Luc Patiny (EPFL).
16h00 A BOILED-Egg To Predict Gastrointestinal Absorption and Brain Penetration of Small Molecules, Antoine Daina (Swiss Institute of Bioinformatics , Lausanne)
16h20 Encyclopedia of functional groups, Peter Ertl (Novartis, Basel)
16h20 – 22h00 Aperitif, BBQ and informal discussions