SmileMS
SmileMS is a unique software platform for the identification and analysis of small molecules by mass spectrometry. Developed in collaboration with the Swiss Institute of Bioinformatics (SIB) and Prof. Denis Hochstrasser's group at the Geneva University Hospitals, SmileMS is an innovative solution that targets an unmet yet growing need for efficient and automatable processes using LC-MS techniques for routine daily analysis of small molecules.
Intuitive and Flexible Web Interface
SmileMS provides a very intuitive Web-based interface. The analysis workflow is easy to handle: prepare a submission - evaluate results - generate reports.
Results are provided in various flavors, including molecule centric and spectrum centric views.
Each user accesses the system with dedicated roles and privileges. The client-server architecture of SmileMS allows remote access to validate results by lab heads. Automated series of analyses can be transparently processed using a specific batch submission system.
Powerful Instrument-Independent Algorithm
The algorithm of SmileMS is highly sensitive and, thanks to its statistics-based kernel, provides normalized scores featuring high-end discrimination power. It has been designed to be instrument-vendor-independent. Therefore it can handle data acquired from different types of mass spectrometers. Its robust statistical approach even allows confident identification of compounds acquired on an instrument different from the one used in the lab.
Enhanced Database Sharing
SmileMS imbeds a reference library creation and maintenance feature. Such a library can be set private or public. Thanks to a server-based software architecture and a flexible user management system, SmileMS offers the unique possibility of sharing reference spectra libraries between collaborating laboratories. It is therefore possible to register for an access to a remote library and search your data against this/these library/ies installed at other institutions over the Web. There is no need to locally install and maintain these external resources yourself.
Broad Range of Applications
The generic functionalities of SmileMS make the tool suitable for a broad range of applications. It has already been successfully tested and implemented in Clinical Chemistry, Toxicology, Feed Testing, and Legal Medicine and can be extended to other fields such as Doping, Therapeutic Monitoring and other laboratory Medicinal needs.
