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Introduction

General information

Program of the 9 September 2016

How to reach Lausanne

Registration

Former workshop: 2003 2004 2006 2007 2009 2011 2012 2013 2014 2015

 contenu

Dr Luc Patiny
EPFL-ISIC-SB
BCH 5121
CH-1015 Lausanne
Tel. : +41 21 693 94 69
Fax. : +41 21 693 93 55

luc.patiny at epfl.ch

Workshop on Chemical Information

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
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