New software application complements InforSense KDE for enterprise-wide workflow-based integrative cheminformatics and offers robust support for multiple cheminformatic vendors
InforSense has unveiled its cheminformatics offering, ChemSense, a vendor-neutral enterprise-wide integrative cheminformatics platform, which enables researchers to establish competitive advantage by quickly and accurately identifying compound leads based on relationships found in complex heterogeneous data.
ChemSense, available exclusively from InforSense and its distributors, provides easy access for both informaticians as well as bench level scientists to chemical information and software tools via analytic workflows with unprecedented depth of functionality for conducting drug discovery research.
"The ability of ChemSense to integrate with cheminformatics tools from multiple vendors means that we can employ the highly flexible KDE workflow environment without replacing any of our existing cheminformatics infrastructure" said Doug Barker, senior director of informatics at Curis.
"It allows us to more rapidly perform complex tasks including cheminformatics actions without compromising the integrity of our data or the algorithm we choose to use." InforSense ChemSense is an extension of InforSense KDE specialised for cheminformatics, and provides a vendor-neutral integrative analytics platform through seamless access and integration of both tools and data sources from leading cheminformatic vendors.
Featuring a rich set of interfaces to the most commonly used cheminformatics applications as well as a wide range of generic and specialized data and model visualization tools, ChemSense is not restricted to molecular modellers or medicinal chemists, but is the tool of choice for all personnel dealing with rapid building and deployment of cheminformatics solutions in a multi-vendor environment.
Leveraging InforSense's ability to easily extend support for third party tools, ChemSense is delivered with access and integration to many experimental and chemical compound databases, data cartridges, and cheminformatics tools from major vendors including: ChemAxon, Chemical Computing Group, ChemNavigator, Daylight, DeltaSoft, Elsevier MDL and Tripos.
An intuitive visual interface is provided for setting the parameters for each component, and the components can be composed interactively as analytic workflows via a drag-and-drop interface.
To address the needs of smaller organizations and research institutes who may not have the third party software already available, InforSense also offers advanced chemistry specific functions with ChemSense, including chemistry descriptors and fingerprint calculations, file format transformations, structure searching capabilities on SDFiles, maximum common substructure analysis, R-group deconvulution and enumeration functionality.
"The launch of ChemSense marks an important milestone of InforSense's development in cheminformatics where significant chemistry functionality is provided by enabling seamless access to multiple third party tools from within our workflow environment," said Prof Yike Guo, CEO and founder of InforSense.
"The benefits of this vendor-neutral approach include: helping customers to capitalize on current cheminformatics investments, permitting customers to select the cheminformatic vendors of their choice, providing customers with the framework to quickly integrate applications across multiple vendors as needed, communicate and integrate across the different domains in the R+D value chain, as well as enabling InforSense to continuously scale-up our chemistry offering over time by adding new partners and functions to InforSense ChemSense in response to customer demand." The other significant offering being introduced with InforSense ChemSense is a new end user visual tool, the ChemSense ChemStudio.
The ChemSense ChemStudio is geared towards end users who are familiar with structure activity relationship (sar) type applications and will leverage the underlying integrative architecture of KDE and the components in ChemSense.
ChemStudio is a simple to use application, which allows researchers to dynamically construct re-usable workflows through an intuitive Sar Table interface.
