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 |