The goal is to provide services to facilitate chemistry-based research.
We ensure the following services:
- Software installation
- Support for secure data storage
- Experimental data archiving
- Perennity of the information
- Chemical stock management
- Storage and on-line processing of analytic results
- Development of cheminformatics tools for data mining and results analysis
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.