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AKos GmbH Newsletter July 2010


CWM Global Search

All New DiscoveryGate

Tip for searching ACD

PASS (Prediction of Activity Spectra of Substances)

AKos Samples


  • AKos GmbH releases the Web version of CWM Global Search

  • Symyx releases the "All New" DiscoveryGate. ACD (Available Chemistry Directory) is the first database release.

  • AKos GmbH, as distributor of PASS announces a new release of PASS.

  • AKos Samples - in July we release a database of ca. 5 million unique structures.

AKos Consulting & Solutions Deutschland GmbH
+49 7627 970068
+49 7627 970067
Fax to Mail
+49 1805 744743 8318
General Information:

CWM Global Search allows searching the Internet by structure, synonym and CAS Registry Number. In a Quick Search, we return structure, names and CAS Registry Numbers* within seconds. The Global Search allows a comprehensive search and the resulting links are organized by topics. A search by name can automatically invoke another search by structure and/or CAS Registry, or any combination of these. CWM Global Search presently searches 44 free chemical and pharma relevant databases  -- containing more than 100 million pages which associate chemical structures with data.

All you have to do is to open the URL http://cwmGlobalSearch.com/gsweb in your Internet Explorer or Firefox on Windows , or Safari on Macintosh

At the first time you will be asked to install the Microsoft Silverlight Plug-In, provided it is not already installed. 

We recommend to start by reading the installation notes at cwmglobalsearch.com/installation

This is a beta version and you can use the full functionality until the end of August.  

We sincerely are interested in your feed-back. Please use the feedback button in the application.

Confirm or reject future newsletters

Our mailing list is generated mainly from business correspondence. We use automatic procedures to do this. We plan to build a mailing list for the newsletter that contains only contacts that have agreed to receive the newsletter.

Please send an email to subscribe@akosgmbh.de if you want to receive future newsletter, or send an email to unsubscribe@akosgmbh.de if you want to be removed from the mailing list.

Please forward this to a friend, who might be interested.


Make informed compound purchasing decisions and cut costs with structure-searchable databases of supplier compound information that include supplier, location, package, purity, and cost information.

Go to www.discoverygate.com/dg3 and the ACD application opens. If you have no login information, you still can use it, only you will not see prices and the shopping cart will not work. You can ask for a free-of-charge evaluation.


Tip for searching ACD

The new version does not work anymore with query by form, but you apply filters. This is a paradigm shift, and might be easier for users. To add items to the shopping cart click on the desired item (package size).  

New features of PASS version 10.1

SAR Base improvement:

  • 60,824 new biologically active substances were added

  • SAR Base includes 266,697 biologically active substances

  • SAR Base includes 934,491 records about activity

  • In average, each activity type is presented by about 160 substances.

  • Number of activity types, which can be predicted, equals to 4,130

  • The average Invariant Accuracy of Prediction (IAP) equals to 0.9552 for SAR Base of PASS version 10.1

PASS software improvement

  • Reading data from hard drive is now faster

  • The speed of prediction is increased

  • The maximal number of structures, which can be viewed in the Viewing Prediction Results window exceeds 50,000,000 in PASS version 10.1.

  • Chemical structure can be represented as Molfiles or SDfiles (formats of Symyx Technologies, Inc., 2440 Camino Ramon, Suite 300, San Ramon, CA 94583, http://www.symyx.com), both, corresponded to the Symyx V2000 and V3000 standards.

PASS interface improvement

  • The training procedure is now more flexible. In PASS version 10.1 Base|Training menu command can be used to provide the training procedure for determination of structure-activity relationships for that activity only, which is interesting for particular task. 

  • The Group column, which displays the group of activity indication: E for Effects, M for Mechanisms, T for Toxicity, Z for Metabolism, G for Genes, C for Transporters, respectively, is added to most of interface windows and to output files.


  • PASS node will become available for the KNIME users. The user should buy the license on PASS CL (command line) version, which will be installed locally in his computer. KNIME with the implemented PASS node will be freely available.

  • Node configuration is allowed to select the needed activity types for prediction from the list of predictable biological activities and to define the Pa threshold for each selected activity separately (each activity with Pa exceeded this threshold in the prediction will be considered as probable).

Windows version (XP and Vista) will be available immediately.

Linux version can be prepared on request (1-2 month).

ISIS/Base is still on the pricelist, and is still useful when exchanging whole databases with colleagues. IPE is based on MS SQL Server Express. You can handle much more complex data, and you have the identical chemistry features as in the large system.

AKos GmbH is a broker for selling screening compounds. We release a deduplicated database with cy. 5 million compounds in July. About 2 million compounds are on stock at the suppliers, and 3 million compounds can be quickly resynthesized since they have synthesized once.

We also offer as service to develop syntheses for you. We have several labs that work extremely well and are suited for such tasks. 

Screening compounds
Telephone (Greta Auf der Maur) +49 7621 162 2778
FAX     +49 7621 162 2779
Please use the keyword "Beilstein" in the reference line to avoid the SPAM filters.

AKos GmbH is the marketer for Symyx technologies Inc. for small to medium companies and universities in parts of Switzerland, parts of Germany, Munich area, former East Germany, Austria and all countries East and South of Graz including Turkey and Kazakhstan. CWM Global Search is produced by AKos GmbH and marketed world-wide.