IDBS Introduces New Chemical Information Technologies At American Chemical Society Conference

ChemIQ(TM) and ChemXtra(TM) Allow Users to Bring Chemical Intelligence Into Any Software Environment

10-Apr-2002

ORLANDO, Fla., Apr 8, 2002 - ID Business Solutions (IDBS) today unveiled ChemIQ(TM), a powerful chemical toolkit for developing chemically-aware client software applications and ChemXtra(TM), a new Oracle data cartridge for indexing and searching chemical structures and reactions in Oracle. Demonstrations of the new technologies can be seen at the American Chemical Society Conference the week of April 7th - 11th at IDBS' booth # 132 or at a workshop on Monday, April 8th from 9 am to 12 pm in Room 308 D of the Orlando Convention Center.

According to Andrew Lemon, Ph.D., Product Development Manager for chemical technologies at IDBS, "Our new chemical technology is an intuitive, easy-to-use platform that `thinks' like a chemist, providing a complete toolkit for research organizations looking to develop chemically intelligent applications." He continues: "All of our chemistry software development is carried out on a firm, modern foundation and is part of an integrated, active development strategy. With ChemIQ and ChemXtra, our goal for customers is: `If they can think it in chemistry, they can now build an application to support it.'"

Neil Kipling, Chairman and Chief Executive Officer of IDBS adds, "Many biopharmaceutical companies are developing and using proprietary technologies as part of their computational chemistry strategies. Our new chemical technology provides a platform to develop these tools more effectively. It is part of our commitment to supply appropriate technology and applications as a foundation platform to maximize our customers' productivity.

ChemIQ, the new application programming interface (API), brings chemical intelligence into the software development environment, enabling software developers to create Windows and web-based applications to manipulate, filter and analyze structures and chemical reactions. The clear, object- oriented design of ChemIQ allows applications to be developed in any COM compliant environment such as VB, C++ or Delphi. Integrated, intuitive chemical intelligence offers full access to molecular information including atom, bond and ring attributes, stereochemistry awareness and fragment handling. Reaction transformations, including sub-reactions, can be calculated automatically. ChemIQ has versatile structure display features including 2D and 3D viewing and manipulation, customized highlighting to emphasize areas of interest or selected molecular components and clipboard support to save an image of a structure. A fast- loading web display control offers all molecule and reactions display features via a web browser. ChemIQ's R-group decomposition service decomposes reagents from Structure Data (SD) files so users can construct Structure Activity Relationship (SAR) reports to identify structures with enhanced activity.

ChemXtra is the only chemistry cartridge to support both Oracle Standard and Enterprise editions, providing organizations with maximum flexibility to choose applications to match their chemistry needs as well as their database environment. ChemXtra brings advanced chemical searching capabilities to Oracle and supports an extensive range of structural querying including superstructure, substructure, exact match and similarity searching with stereo-selectivity. It also provides an easy to use programming interface that allows users to build straight-forward Structure Query Language (SQL) select statements, to search for and retrieve complex chemical information.

ChemXtra also offers the unique ability to automatically "fine tune" available server resources according to the number of users and chemical structures. This provides increased efficiency for organizations by freeing- up memory usage for other applications running on the server. Robust and scalable, ChemXtra easily handles databases with more than a million structures.

https://www.chemeurope.com/en/news/10013/idbs-introduces-new-chemical-information-technologies-at-american-chemical-society-conference.html