In Silico Screening is a suite of programs addressing rational drug design issues. From an experimental set of molecules, a virtual cominatorial explosion is generated, according to a list of user-defined constraints (100+ descriptors available). A diversity analysis is then performed, allowing to define relevant subsets, which are screened with regards to their static properties (conformation-independent descriptors). This approach has been validated by successful collaborative research contracts, resulting in several patents.
IRIX version compatibility: 5.x, 6.x
R. Lahana
VP Developement Molecular Modeling
Syntem
Parc Scientifique Georges Besse
Nimes, 30000
France
33-466-048-666
33-466-048-667 (fax)
rlahana@syntem.eerie.fr
For applications in related solution areas, see the following indices:
Chemical Information Database,
Chemometrics,
Computational Chemistry,
Molecular Biology, the developer index for Syntem
and the product category index for Chemistry, Biochem, Biotechnology.