Tripos Introduces ChemCore chemical information tracking system
Premiere cheminformatics system streamlines the chemical process
Tripos, Inc. (St. Louis) today introduced ChemCore, the first commercially available chemical information tracking system that integrates compound synthesis activities and runs in an Oracle® Data Cartridge environment. This cheminformatics solution incorporates Auspyx(TM), Tripos' data cartridge that enables the storage and manipulation of structural data and serves as a key component of the system. ChemCore tracks all chemical process activities and information, from initial concept, design and reagent selection to compound and reaction search and registration, inventory management, and electronic laboratory journal entry. ChemCore compiles this data into a sophisticated informatics system that tracks synthesis details for thousands of reactions at a time and applies knowledge management techniques to chemistry generated in a laboratory.
ChemCore, a process-oriented technology, was designed to support both high-throughput parallel and medicinal chemistry processes in close collaboration with chemists at Tripos' chemical laboratories in the United Kingdom. This system can be deployed at customer sites to track millions of bottles, compounds and reactions by preserving, using and registering all information created when producing chemical compounds. ChemCore registers all lab journal activities and reaction details so that failure and success are both recorded. This creates an extremely valuable knowledge database that can help chemists make faster decisions and be more successful in their day-to-day activities.
ChemCore's Auspyx component puts chemical information including structures, assay results, and physical properties directly into Oracle, allowing Oracle to manage and operate on chemistry data as easily as it works with other types of data. Tripos' unique MetaLayer(TM), a data and application integration technology that is quickly becoming the pharmaceutical standard for virtual data warehousing, is also incorporated into ChemCore. The MetaLayer links heterogeneous data sources such as chemical, biological and computed ADME data, enabling researchers to make fast and effective scientific decisions. The ChemCore system runs on a variety of hardware platforms including NT, SUN, HP and SGI.
"ChemCore has been developed in a laboratory environment by chemists for chemists, and can be easily tailored into a customer's library synthesis and medicinal chemistry processes. It should be the first place a research chemist turns for efficient compound production," said Peter Hecht, Senior Vice President, Discovery Research Operations at Tripos. "Once deployed at a customer site this cheminformatics system becomes the information backbone of a chemistry operation, supporting millions of compounds and reactions and tying together all aspects of their chemistry production to accelerate their drug discovery. For example, ChemCore stores all purchased and internally produced reagent data so scientists can quickly determine material suitability. Its built-in scoring system automatically indicates the most appropriate reagent resource. The discovery process benefits because scientists spend less time in unproductive repetitive activities and more time uncovering drug leads."
About Tripos Inc.
Tripos ( www.tripos.com ) is a leading provider of discovery chemistry, integrated discovery software products, software consulting services, and discovery research services to the pharmaceutical, biotechnology, agrochemical, and other life sciences industries. The company combines information technology and scientific research to optimize and accelerate molecular research for the discovery of new products by customers. Tripos' products include diverse chemical libraries; collaborative and contract research for the discovery, synthesis, characterization and optimization of new chemical compounds that are active in biological systems; proprietary discovery software tools to manage, analyze and share biological and chemical information; and systems integration and other software consulting services.
Source: Tripos, Inc.