| Issues | 
		
		AKos GmbH Newsletter
		
		 | 
		
		 April 2015 | 
	
		| 
   How can I search Google with the chemical structure? 
		
		   | 
		
		Free version  
		of 
		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! | 
		6 
		companies that advertise, already | 
	
		|   Search for structure-modified peptides  
		
		 | 
			
				
					
						
							
 
							
							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. 
						 |  | 
	
		| Benefit from the know-how of specialists  
		
		 | 
		 
		
		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 | 
	
		| 
   Low cost offer of a screening compounds  
		
		 | 
 
		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. | 
	
		| 
			  
			
			12'000 
			 
			
			compounds can be selected by 
			
			
			
			structure
			
			
			XlogP
			
			
			PASS paramaters     
   
		
		95% 
		
		observed accuracy of PASS 
		  
			
			
 
		  
		
		4444 
		
		biological activities that can be predicted with PASS.   | 
	
		| Save money by avoiding unnecessary 
		expensive testing in green-house and field.  
		
		 | 
		 
		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 
			  | 
	
		|   Cost effective chemoinformatics suite  
		
		 | 
 
		
		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:
 
			
				|  | JSDraw - 100% 
			Javascript Chemical/Biological Structure Editor |  
				|  | 
			JSDraw.WebServices - JSDraw server side web services to extend JSDraw 
			capabilities |  
				|  | MolEngine - .NET 
			Cheminformatics Toolkit |  
				|  | 
			MolEngine.Plugins - Third-party modules to extend MolEngine 
			capabilities |  
				|  | 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. |  | 
	
		|   What happens when I want to change the vendor? 
		What happens when I need to use my own server, due 
		to security reasons?  
		 | 
		 
		
		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   | 
	
		|   How can I search in AKosSamples? 
		   
		 | 
 
		
		
		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.  | 
		>24 
		million  
		structures are in the 
		AKosSamples database. About 6 million samples are on stock. | 
	
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