AKos GmbH Newsletter
PASS (Prediction of
Activity Spectra of Substances)
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.
as distributor of PASS announces a new release of PASS.
AKos Samples - in July
we release a database of ca. 5 million unique structures.
& Solutions Deutschland GmbH
+49 7627 970068
+49 7627 970067
Fax to Mail
+49 1805 744743 8318
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
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
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
We recommend to start by reading
the installation notes at
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.
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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.
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
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.
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
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
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 KNIME node
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
Telephone (Greta Auf der Maur) +49 7621 162 2778
FAX +49 7621
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.