The goal is to provide services to facilitate chemistry-based research.
We ensure the following services:
Programs and computer resources for chemistry available at ISIC
- Mestre Nova is a processing software for NMR compatible with Bruker dataset
- Scigress™ is a desktop computer molecular modeling software
- ChemDoodle chemical drawing and publishing software for Windows, Mac and Linux
- Storing and accessing your data safely
During the last 20 years we have been involved in the development of many tools accessible from the internet that are used by over 10’000 chemists every day !
Some tools are worldwide recognized and are top-ranked in google:
- “NMR prediction”, first position: http://www.nmrdb.org/predictor
“NMR simulation”: first position: http://www.nmrdb.org/simulator
- “Isotopic distribution”: third place: http://www.chemcalc.org
The development of a database allowing to store any kind of information as well as to track analytical requests has been an important project and is available internally at (https://eln.epfl.ch). Many innovative programs allowing to visualize and analyse the data were developed to reach this goal and recently were used to teach structural analysis, cheminformatics and organic chemistry on-line.
Currently the automatic analysis of NMR spectra as well as the data mining of NMR, IR and mass spectra are our main research topics.
Workshop on Chemical Information
September 14, 2018
We are pleased to invite you to our sixth “Lausanne Workshop on Chemical Information”. The goal of this workshop is to put together people interested in Chemical Information in order to share ideas and future perspectives in this field. We hope that leaving this workshop everybody will have learn something and will be in hurry to implement or develop new ideas that hopefully will be presented in the future.
Organizing comittee :
- Peter Ertl (Novartis, Basel)
- Thomas Mueller (Novartis, Basel)
- Thomas Sander (Actelion, Basel)
- Christian Rufener (Actelion, Basel)
- Igor Tetko (Institute for Bioinformatics, Germany)
- Reiner Dieden (Belgium)
- Damiano Banfi (EPFL, Lausanne)
- Luc Patiny (EPFL, Lausanne)