11 September 2015 – AAC014
11h20 | Visualization of the RCSB Protein Data Bank in Molecular Shape Space, Xian Jin (Bern University) |
11h40 | Reaction database, Christian Rufener (Actelion, Basel) |
12h00-14h00 | Lunch offered by MolMall |
14h00 | Rdkitjs: rdkit meets Javascript , Guillaume Godin (Firmenich, Geneva) |
14h20 | Towards a universal map of drug-relevant space, Dragos Horvath (Université de Strasbourg) |
14h40 | Towards in silico lead discovery by integrating chemical synthesis with logic-based screening, Michael Sternberg (Imperial College London) |
15h00 | Coffee break |
15h40 | Workflow for advanced high resolution mass spectra analysis, Luc Patiny (EPFL). |
16h00 | Prediction of natural product-likeness score with RDKit, Peter Ertl (Novartis, Basel) |
16h20 – 22h00 | Aperitif, BBQ and informal discussions |