12 September 2014 – INM.200
| 10h40 | GC/MS identification in a Browser, Guillaume Godin (Firmenich, Geneva) |
| 11h00 | Slice based data store, Michaël Zasso (EPFL, Lausanne) |
| 11h20 | Chemigenomics – is it more than inductive transfer?, Dragos Horvath (Université de Strasbourg) |
| 11h40 | Chemical Data Visualization and Analysis with Incremental GTM: Big Data Challenge, Héléna Gaspar (Université de Strasbourg) |
| 12h00-14h00 | Lunch offered by MolMall |
| 14h00 | In silico identification of bioisosteric substituents, linkers and scaffolds for medicinal chemists, Peter Ertl (Novartis, Basel) |
| 14h20 | INDDEx – logic-based ligand screening for scaffold hopping, Michael J E Sternberg (Imperial College London) |
| 14h40 | MDPI Price presentations jsGraphs and jsNMR – Advanced Scientific Charting (www.jsgraph.org), Norman Pellet (EPFL, Lausanne) ChEMBL Beaker: A lightweight web framework providing robust and extensible cheminformatics services, George Papadatos (European Bioinformatics Institute, Cambridge) myChEMBL: a virtual machine implementation of open data and cheminformatics tools (European Bioinformatics Institute, Cambridge) |
| 15h10 | Coffee break |
| 15h40 | Interactive tools for visualisation and virtual screening of large compound databases, Jean-Louis Reymond (University of Bern) |
| 16h00 | Sub-pharmacophore models as seeds in drug discovery, Modest Korff (Actelion, Basel) |
| 16h20 | 2D scaling with rubber bands and descriptors, Thomas Sander (Actelion, Basel) |
| 16h40 | LUCID: supervised multidimensional optimization of drugs using Matched Molecular Pairs, Gregori Gerebtzoff (Roche, Basel) |
| Aperitif and dinner |