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AKos News for the
Month
SEPTEMBER 2015 |
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ChemRPS
(Chemical Registration and Publishing System)
Multiuser chemical information system
based on open access software. Read more |
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Services
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The standard
import functionality and the standard data dictionary might not be what
you want. We offer services to adjust the system to your needs. We have
a lot of experience cleaning your data before we register them into the
system:
Structure checker:
This application checks the correct valence, weeds out wrong structures
Standardizes
structures, for instance converts 5 valence nitrogen in 3 valence
nitrogen (e.g. uncharged nitro groups gets converted in charged nitro
groups)
Name checker:
This application is able to correct errors in names, i.e. if words are
spelled wrong like immidazole instead of imidazole. Such a correction
cannot be 100%, but it finds many errors.
CAS number
checker: This application checks if the CAS Registry Number is a
valid CAS number. It finds incorrect assigned CAS numbers. Often the CAS
number given is in reality for a salt and not for the parent. We only
have access to CAS numbers that are in the public domain, but this are
already quite a lot.
Data enrichment:
This application can add
to a compound
record.
For certain
customers we have applications that provide data directly:
Names of
potential suppliers for a certain compound. You would like to give some
identifier like synonym, CAS Number, AKos Number, IUPAC name, etc. and
get quickly a list of suppliers.
Get quickly the
prices for compounds from other suppliers.
Biochemfusion
has a long experience on building systems for peptides. The system can
be extended to handle peptides sequences with structure modifications.
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Would you be interested in services,
and/or would you be interested in having your full chemical information
system.
Please
send an email to:
AKos GmbH
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How can I search Google with the chemical structure?
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Advertise in
iScienceSearch
(http://isciencesearch.com/iss/default.aspx)
We decided to finance this
project by advertisement. It is free for everyone. Please see our
advertisement prices at
advertise.htm. They are vey low! |
Advertise with iScienceSearch |
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Search for structure-modified peptides
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Proteax® -
easy interchange of full structures and three or one
letter codes for peptides
Biochemfusion's Proteax software suite makes it easy
to handle modified proteins and protein derivatives.
Use Proteax with Microsoft® Excel® or Oracle®
databases to register and analyze your protein
structures.
The
chemically-aware Proteax engine enables you to work
with post-translationally and chemically modified
protein sequences. Protein data can therefore be
transferred directly to bioinformatics tools,
chemistry tools and to and from mass spectrometry
instruments.
Proteax is included in iScienceSearch and is the
first application that makes is possible to search
and analyze the
results for structure-modified proteins.
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Benefit from the know-how of specialists
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Consulting for
biological registration systems
Dr.
Jan Holst the producer of Proteax and owner of BioChemFusion can help
you building a biological registration system. He and other from
AKemConsulting.net (http://www.akosgmbh.de/akem/index.html) have the
experience and know-how to build systems. |
20
and more years
experience in chemoinformatics of each person |
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Low cost offer of a screening compounds
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Special Offer:
Several of our
suppliers offer larger collections for a very attractive price.
We supply 5 mg of
dry powders in vials or well-plates. Shipping cost is 150 € to Europe
and 200 € to USA, of course, in the case of big order we'll send free of
charge. Below is only one example of such a special offer.
The files contain
ca. 12000 structures. We also extracted the scaffolds using the KNIME
Murcko node. We have added the PASS parameters to the download files.
This enables you, not only to select your molecules by structure, but
also by estimated biological effects (toxicities, gene expressions,
etc.)
You can download the files either by
clicking on the link, or using the ftp download, see
http://www.akosgmbh.de/AKosSamples/index.html. |
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Save money by avoiding unnecessary
expensive testing in green-house and field.
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Database of unpublished experimental results of 50’000
agro
chemicals
AKos GmbH is reselling a databases of ca. 50’000 compounds and ca.
1’000’000 test results. The compounds are potential herbicides and
fungicides. The rights to these data were rightfully acquired when the
LEUNA group of companies were dissolved and sold. Many of these data
have importance for REACH, and research. The data were very unstructured
and were recently reworked into XML files, ACCESS database and the
structures are in SDFiles. |
1 Million
unpublished test
results
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Cost effective chemoinformatics suite
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Scilligence Chemoinformatics
Development Suite
(DevSuite,
http://devsuite.scilligence.com) is a complete toolkits for
developers to build web applications and .NET applications. Dev Suite
contains following key modules:
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JSDraw - 100%
Javascript Chemical/Biological Structure Editor |
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JSDraw.WebServices - JSDraw server side web services to extend JSDraw
capabilities |
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MolEngine - .NET
Cheminformatics Toolkit |
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MolEngine.Plugins - Third-party modules to extend MolEngine
capabilities |
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MolSql -
Chemistry Cartridge for Microsoft SQL Server |
To
download DevSuite or individual modules:
JSDraw:
http://www.scilligence.com/web/download.aspx?prod=JSDraw
JSDraw.WebServices:
http://www.scilligence.com/web/download.aspx?prod=JSDraw.WebServices
MolEngine:
http://www.scilligence.com/web/download.aspx?prod=MolEngine
MolEngine.Plugins:
http://www.scilligence.com/web/download.aspx?prod=MolEngine.Plugins
MolSql:
http://www.scilligence.com/web/download.aspx?prod=MolSql
Please send us an email to
software@akosgmbh.de to schedule a demo, begin an evaluation, or request
further information. |
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What happens when I want to change the vendor?
What happens when I need to use my own server, due
to security reasons?
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Academic package:
electronic lab journal (ELN)
Many
professors would like to use an ELN. However, they work with companies
and they use paper notebooks due to security reasons. They are
not allowed to put anything in the cloud.
The other issue is what
happens to the data, if they want to change the vendor?
AKos GmbH and Scilligence
agreed to offer a solution where you can use the Scilligence software on
your own server. You still can use the cloud, if you prefer. If you
decide to terminate the agreement, you will get a SQL database package
with your data.
Onsite ELN Academic
Package up to 20 users: License fee 250/user – 5,000 Euro
annual (includes maintenance), 10000 Euro perpetual (20% Annual
Maintenance fee)
Installation and training 2000 Euro + expenses
Please
send us an email to software@akosgmbh.de to schedule a demo, begin an
evaluation, or request further information. |
5000
Euro per year plus
2000 Euro installation
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How can I search in AKosSamples?
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How to
search in AKosSamples?
You can search by full structure, substructure
and similarity in many database in iScienceSearch. One of these
databases is AKosSamples. |
>25
million
structures are in the
AKosSamples database. About 6 million samples are on stock. |
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