Newsletter March 2009

   Forthcoming Events:

• InfoChem exhibits at the ACS spring Meeting in Salt Lake City, UT, USA (March 22-26)
• Participate in the Name Reaction game at the InfoChem booth 635 (ACS Exhibition Salt Lake City)

   Software:

• "All-in-one" structure search integrated in ICFSE, ICCARTRIDGE, ICCHEMDESK and SPRESIweb
• ICCARTRIDGE version 2.6 launch in March
• ICCHEMDESK version 1.0 launch in April
• ICEDIT desktop application 1.8 released
• SPRESIweb version 2.7 launch in March

InfoChem exhibits at the ACS spring Meeting in Salt Lake City, UT, USA (March 22-26)

InfoChem will be present at the forthcoming ACS Meeting in Salt Lake City (March 22-26). You will find Dr. Valentina Eigner Pitto, Dr. Peter Loew, and Dr. Josef Eiblmaier at the InfoChem booth (635) during the exhibition. Please come and visit us, we will be happy to show you how easy it is to use SPRESIweb or how ICCARTRIDGE/ICCHEMDESK can help you to organize your structure and reaction data. Furthermore we will be happy to discuss how to process your legacy data, patent specifications, internal research reports or any other undiscovered, chemically relevant repositories using our "Mining for Chemistry" approach. This service extracts chemical compounds from both text and images and converts them into a computer readable format.
Feel free to contact us to arrange a meeting.

Participate in the Name Reaction game at the InfoChem booth 635 (ACS Exhibition Salt Lake City)

Come and visit us at the InfoChem booth (635) and show us how to find an example of the Hell-Volhardt-Zelinski reaction with yield > 90% in SPRESIweb. The first 100 visitors who can show us the right answer will receive an InfoChem 1GB USB flash drive.
Tipp: Click on "Name Reactions" in the pull down menu, when performing a reaction query.

"All-in-one" structure search integrated in ICFSE, ICCARTRIDGE, ICCHEMDESK and SPRESIweb

InfoChem presents a novel chemical search approach in its powerful search engine and front ends. By using the "all-in-one" search you can retrieve results from exact, substructure and similarity search ordered by relevance performing only one query. Instead of specifying multiple queries you get all the results with just one click!
If you are interested in testing this innovative feature come and visit us at booth 635 at the ACS Exhibition in Salt Lake City, or apply for a new SPRESIweb test account.

ICCARTRIDGE version 2.6 launch in March

ICCARTRIDGE, developed at InfoChem to enable structure and reaction retrieval in Oracle®, offers with version 2.6 new and innovative features. New SQL operators based on the InfoChem reaction classification algorithms (CLASSIFY) have been integrated, as well as the "all-in-one" structure search operator described above. This new operator retrieves all significant records in one result set ordered by relevance from exact to similar hits.
In addition, ICCARTRIDGE supports now the generation of additional InChI data for molecules.
Feel free to contact us for more information regarding ICCARTRIDGE and its new features.

ICCHEMDESK version 1.0 launch in April

ICCHEMDESK is a desktop client application for the management and visualization of chemical structure and reaction data. This powerful software package, built on the InfoChem Chemistry Cartridge for Oracle® (ICCARTRIDGE), allows retrieving, inserting and editing structures and reactions on both remote and local databases with an outstanding performance. Intuitive tools for the import of structures and reactions as well as additional data from SD and RD files are included in this software package.
Unrestricted, open data models are supported.
The user can keep track of search history with the integrated hit list and query management tools. The generation of user-defined query and retrieval forms to get the relevant information at a glance is possible.
Please get in touch with us for more information or to evaluate the product.

ICEDIT desktop application 1.8 released

InfoChem is happy to announce the release of the new version of the ICEDIT desktop application. The new ICEDIT version 1.8 supports the recognition, handling and definition of superatoms. Superatoms are abbreviations for parts of a structure (single molecule or reaction compound) that have been reduced to a text label, maintaining their chemical significance. With over 250 structure parts and 600 different abbreviations, InfoChem's superatom list is the largest on the market. For example, ICEDIT users can now introduce "TMS" in their structure instead of drawing the whole tri-methyl-silyl protection group.
Another new feature is the calculation of molecule values.
For more information about ICEDIT visit our homepage or contact us.

SPRESIweb version 2.7 launch in March

We are proud to announce the release of SPRESIweb 2.7 in March 2009. The web application enables now to search over 7.0 million structures and 3.9 million reactions extracted from 645,000 literature references, covering the years 1974 - 2007.
The new version offers the "all-in-one" search functionality described above. This new feature retrieves all significant records in one result set ordered by relevance from exact to similar hits with one click.
For more information about SPRESIweb visit www.spresi.com.




Please feel free to contact us for more information about InfoChem, our current research projects and our products.