Workflow Cheminformatics

presentation · 16 years ago
by Kanishka Karunanayake, François Gilardoni (InforSense)

InforSense Ltd, the leading provider of Open Discovery Workflow(TM) informatics platforms, integrates ChemAxon’s powerful and versatile technology within its ChemScience suite. Industry-standard Java components such as Marvin, JChem Base, Standardizer, Screen, Reactor, and Marvin Plugins (pKa, LogP, LogD) are seamlessly accessed via InforSense integrative analytic workflows and can link to different data sources and other products within the InforSense portfolio without programming. Capability highlights include multiple format conversion, handling and validation, a descriptor and fingerprint generation engine, a smart library design module, browsing and search capabilities, including sketch and search in deployed applications via the Discovery Portal. Close integration with InforSense bioinformatics and literature mining capabilities produces efficient informatics solutions able to handle complex research issues, previously very time-consuming.Sophisticated cheminformatics solutions combining different data sources, legacy or proprietary applications, external tools and web services are effortlessly built and deployed company-wide as reusable best practice solutions. InforSense's visual programming environment and its Portal provide the framework for a single unified cheminformatics infrastructure. Indeed, multidisciplinary teams can now have seamless access to highly sophisticated and tailored solutions through the portal.