ViSoR – A Peek under the Hood

c.a.r.u.s. Information Technology AG High Performance Hardware and Software Solution Provider Headquarter in Norderstedt (Hamburg metro area) Founded in 1987 Currently around 100 employees to serve more than 100 customers in Europe (85% Germany) 25 Mio. Euro revenue in 2007 Germany Norderstedt | Hamburg Berlin Hannover Romania Brasov 2

c.a.r.u.s. activities myMedis – module based hospital information system supporting the main clinical processes (for medium to huge hospitals) Software solution for image management for high content screening images and data based on the OME/OMERO system Services@MediGrid - The joint project MediGrid links well known research institutes in the areas of medicine, biomedical informatics and life sciences into a consortium. Partners from industry, healthcare and research facilities ensure a broad community-representation. ViSoR a highly innovative and worldwide unique knowledge-management workplace geared towards pharmaceutical drug development 3

Virtual compound database Working within a single environment for virtual and assay based screening yields benefits for the scientist by leading to better results faster High Content Screening ViSoR software solution Combined hit lists Virtual compound database Virtual High Throughput Screening

Requirement for the chemistry framework Scientific Needs need for the management of chemical information need to handle graphical demands of chemistry Technical Requirements modern conzept/design – platform independent and pure Java basis extensive documentation - JavaDoc help and support structures in place – lively onlineforums linked to the support people from ChemAxon

Jchem/JChemManager to manage chemical information JchemSearch similarity- and substructure searches Tautomerization-Plugin Stereoisomer-Plugin PkaPlugin to calculate protonation MarvinView to display single molecules MarvinSketch to capture chemical structures MarvinSpace to display screening results Preparation of Virtual Screeening Warrants consistent chemical information (tautomers, isomers)

Make ViSoR the bedrock of your drug discovery! ViSoR Life Science Stack Tripos Opera Autodock TrixX Individualanwendung(en) Your DB ChemAxon Tomcat/JBoss/Geronimo Oracle cJEF High Performance Framework cJEF-TX cJEF-BC cJEF-SMDB Server Java 2 Enterprise Edition (J2EE) Applikationsserver postgreSQL Java 2 Standard Edition (J2SE JDK 5.0) IBM/SUN – Hardware layer

ViSoR Demonstration Document management Management of assay protocols Compound selection and grouping Import of assay based screening results Virtual screening using TrixX technology Management of results of virtual screening Hit and lead selection Result presentation in graphical form Presentation of molecule docking 8

Let us put this tool in your hands. Prof. Dr. Volker Nowotny c.a.r.u.s. HMS GmbH Bornbarch 9 22848 Norderstedt fon +49. (0)40. 514 35-2415 fax +49. (0)40. 514 35-1111 Volker.Nowotny@carus-it.com www.carus-it.com

ViSoR Highlights User-friendly GUI - Pure browser-based application State-of-the-art security mechanisms for a Web 2.0 application Centralized, consistent database for all users (ORACLE, postgreSQL) Electronic laboratory journal Document management Multi-user capability Easy integration of selected third-party systems Compatible with most file types common in pharmaceutical research Compound management (capability) The latest software architecture SOA improving the seamless and efficient cooperation between applications and services 10