10th workshop in cheminformatics
Event details
| Date | 12.09.2014 |
| Hour | 10:40 › 16:20 |
| Location | |
| Category | Conferences - Seminars |
12 September 2014 - INM.200
10h40 GC/MS identification in a Browser, Guillaume Godin (Firmenich, Geneva)
11h00 Slice based electronic laboratory notebook, 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 Sub-pharmacophore models as seeds in drug discovery, Modest Korff (Actelion, Basel)
14h40 MDPI Price presentations
jsGraphs and jsNMR – Advanced Scientific Charting, 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 INDDEx – logic-based ligand screening for scaffold hopping, Michael J E Sternberg (Imperial College London)
16h20 2D scaling with rubber bands and descriptors, Thomas Sander (Actelion, Basel)
Aperitif and dinner
10h40 GC/MS identification in a Browser, Guillaume Godin (Firmenich, Geneva)
11h00 Slice based electronic laboratory notebook, 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 Sub-pharmacophore models as seeds in drug discovery, Modest Korff (Actelion, Basel)
14h40 MDPI Price presentations
jsGraphs and jsNMR – Advanced Scientific Charting, 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 INDDEx – logic-based ligand screening for scaffold hopping, Michael J E Sternberg (Imperial College London)
16h20 2D scaling with rubber bands and descriptors, Thomas Sander (Actelion, Basel)
Aperitif and dinner
Practical information
- General public
- Free
- This event is internal
Organizer
- Dr. Luc Patiny