ChemAxon Offers Cheminformatics Toolkit for Public Databases



 ChemAxon today announced the FreeWeb package, a free cheminformatics toolkit for non-commercial, public websites.

The FreeWeb package is designed to make the chemical information on such sites easier to access and provides tools that allow site visitors to explore and analyze the data.

“There is an increasing amount of chemically relevant content being made available publicly, online,” said Ferenc Csizmadia, CEO Of ChemAxon. “The FreeWeb package [helps make] that content more available and useful.” (Csizmadia’s comments came in a prepared statement.)

The FreeWeb package gives users tools to edit, view, search, calculate properties, and help manage a cheminformatics database. Specifically, the package includes the Marvin Java applet family of tools for creating chemical queries, viewing results, and ligand and macromolecular analysis. It also includes the JChem Base and JChem Cartridge for chemical searching and database management. Additional tools include the Standardiser, which allows for the creation of business rules for structure management, and Calculator Plugins, which give researchers a way to better understand a range of structure-based properties of the cheminformatics information on a site.

ChemAxon says that – like its approach with its free Academic Package (which lets academic researchers and teachers use all of the company’s products for free) – the idea behind the FreeWeb package is to increase the quality and capabilities of publicly accessible online chemical research resources.

Related Stories:

Bayer Workflow Targets Cheminformatics Analysis

IT and Informatics Weekly New Product Roundup

CEO Lessons on Products and Market

 

Click here to login and leave a comment.  

0 Comments

Add Comment

Text Only 2000 character limit

Page 1 of 1



White Papers & Special Reports

sgi whp 2
Managing the Modern Genomics Data Flood
Sponsored by SGI

Managing and storing the perfect storm of multi-disciplined data pouring from next generation sequencers and other omics instruments is a central challenge in life sciences. Discover in this paper how the SGI ArcFiniti storage solution, optimized for unstructured genomics and life sciences data can: 

  • Reduce costs, proactively protect data integrity, and deliver the high performance I/O required for genomics data processing and analysis.  
  • Effectively manage capacities from 156TB to 1.4PB as a disk based, integrated hardware and software platform 


sgi - whp 1
Turning Genomics Data into Practical Insight
Sponsored by SGI

With worldwide sequencing capacity approaching 13 quadrillion DNA bases annually turning genomics data into knowledge is a true computational challenge. Read this paper and learn how the SGI UV coherent shared memory platform can:  

  • Speed results time while cost competitively tackling the most difficult computational problems across all omics disciplines. 
  • Push performance by scaling to extraordinary levels, up to 256 sockets (2,560 cores, 4,096 threads) per single system (one OS image). 

Provide support for up to 16TB of coherent shared memory in a single system image enabling extreme efficiency across a wide range of compute demands. 



accerlys-logo_2012_wh
New Complimentary Market Survey…
Collaborations and Communications Within Drug Discovery Research
Sponsored by Accelrys
This survey was conducted by the Cambridge Healthtech Media Group in January, 2012. It was sponsored by Accelrys related to their HEOS initiative to gather valid information around externalizing collaborative research while improving communications in the cloud. With 310 qualified industry respondents the survey findings reveal useful usage and trends patterns.  An insightful follow-on discussion and webinar related to this survey, and the HEOS by Scynexis SaaS portal is also available on the Bio-IT World website for complementary viewing.
 


Job Openings

tessella logo 
Scientific Software Engineer
Boston MA
$70,000 to $95,000
 
Apply at http://jobs.tessella.com   

oxford nanopore logo 


Early Access Collaborations ManagersClick here to find out more and apply   

Oxford Nanopore's GridION technology, VP, Sales and Marketing Click to  Apply  

For reprints and/or copyright permission, please contact  Tim McLucas, (781) 972-1342, tmclucas@healthtech.com .