1. ViSoR – A Peek under the Hood

2. 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

3. 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
- 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

4. 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

5. 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

6. 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)

7. 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

8. 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

9. 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)
fax +49. (0)

10. 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