Workshop 2021
Finally we will meet again! This year the workshop will take place at the "refuge du Laviau" in Saint-Sulpice on September 10, 2021. It is the perfect location to gather together, enjoy the view on the Geneva lake and share exciting new ideas.
As usual attending the workshop is free of charge but don't forget to register as the number of available places is limited.
No registration available. All seats are unfortunately allocated.
Schedule
Morning
10h00 - 10h30
Registration
10h30 - 10h35
Welcome
Luc Patiny
10h35 - 10h40
Metabolite Identification with Public Spectral Libraries
Mahnoor Zulfiqar: (Friedrich Schiller University Jena, Germany)
10h40 - 10h45
Rule-based in-silico Fragmentation for the Analysis of Natural Product Chemical Space
Jonas Schaub: (Friedrich Schiller University Jena, Germany)
10h45 - 10h50
Automatic metabolite quantification in proton nmr spectra of urine samples
Alejandro Bolanos (University of Valle, Cali, Colombia)
10h50 - 11h00
Enzymatic transformer
David Kreutter (Bern university)
11h00 - 11h10
RAScore and GDB retrosynthesis
Amol Thakkar (Bern University)
11h10 - 11h45
Coffee
Little coffee break
11h45 - 12h00
ChemSpace Atlas
Dragos Horvath (University of Strasbourg, France)
12h00 - 12h15
Tailor-design of a web-based MS data processing App.
Jessica Desport (UvA, Netherlands)
12h15 - 12h30
Archive forge, a tool to assist researchers in the generation of field-specific metadata-rich archives
Damien Jeannerat (NMRprocess.ch, Geneva)
12h30 - 14h30
Lunch
Afternoon
14h30 - 14h50
Chemical rule enhanced reaction mapping
Thomas Sander (Idorsia, Basel)
14h50 - 15h10
OCHEM Open source : how to make strong AI models ?
Guillaume Godin (Firmenich, Geneva)
15h10 - 15h30
NMRium: an open-source React component to process and visualize NMR spectra.
Luc Patiny (Zakodium, Lonay)
15h30 - 15h50
How to handle some billion molecules with Cassandra DB
Modest Korff (Idorsia, Basel)
15h50 - 16h20
Coffee
Little coffee break
16h20 - 16h40
Learning the Language of Chemical Reactions - Atom by Atom
Philippe Schwaller (IBM Research, Zurich)
16h40 - 17h00
Predicting yield of chemical compounds using CRS
Igor Tetko (Helmholtz Zentrum München)
17h00 - 17h20
Fun with Functional Groups
Peter Ertl (Novartis, Basel)
17h20 - 23h00
BBQ
Aperitif and our traditional barbecue
How to reach the workshop
The workshop will take place in the 'Refuge de Laviau' in Saint-Sulpice.
It is very close to 2 bus stops: "Saint-Sulpice, Venoge Sud" and "Saint-Sulpice, Venoge Nord". You can find the easiest way to go there by public transport on this website.
If you come by car there is enough free parking place next to the conference room.