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Introduction

General information

Program of the 14 September 2018

How to reach Lausanne

Registration

Former workshop: 2003 2004 2006 2007 2009 2011 2012 2013 2014 2015 2016

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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

14 September 2018 -

11h00 , Daniel Probst (University of Bern)
11h20 RDKit: new 3D descriptors, Guillaume Godin (Firmenich, Geneva)
12h00-14h00 Lunch offered by MolMall
14h00 Gregory Landrum (Knime AG, Switzerland)
14h20 (Big) Data analysis using On-line Chemical database and Modelling platform, Igor Tetko (HelmholtzZentrum m√ľnchen, Germany)
14h40 Tackling the conformational sampling of larger flexible compounds and macrocycles in pharmacology and drug discovery, Nicolas Foloppe (Vernalis, UK)
15h00 Coffee break
15h40 EMDB: a new pure javascript library for mass spectra analysis, Luc Patiny (EPFL).
16h00
16h20 In silico generation of novel, drug-like chemical matter using the LSTM deep neural network, Peter Ertl (Novartis, Basel)
16h20 - 22h00 Aperitif, BBQ and informal discussions
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