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ACD/Spectrus DB Release Completes ACD/Labs’ Next Generation Cheminformatics Platform

Published: Saturday, April 06, 2013
Last Updated: Friday, April 05, 2013
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The ACD/Spectrus Platform serves to connect analytical content with chemical context enabling collaborative science and faster decision-making

ACD/Labs, a leading chemistry software company that develops and commercializes enterprise and desktop solutions to support R&D efforts, and preserve and re-use legacy chemical and analytical knowledge, has announced the commercial availability of ACD/Spectrus DB. This powerful and unique database is at the core of the Spectrus integrated analytical and chemical knowledge management platform. Release of Spectrus DB represents a three-year effort resulting in the completion of the Spectrus platform which provides a variety of productivity-increasing enhancements, collaborative science, and the preservation of analytical intelligence. Plans for this new platform were unveiled at PITTCON 2011, shortly followed with the commercial release of ACD/Spectrus Processor, the all-in-one processing, structure characterization, and reporting software designed to assist in the interpretation of analytical and chromatographic data. PITTCON 2012 marked the release announcement of ACD/Labs Spectrus Workbooks bringing higher productivity and efficiency to analytical laboratories, while adding complete, accessible, re-usable analytical characterization to the modern informatics environment; and the capability to easily manage chemistry project data.

The platform puts an end to the “one-and-done” life cycle of analytical data to aid chemistry groups who are trying to maximize their return on investment for data generation. With the Spectrus platform, ACD/Labs builds upon its broadly accepted desktop applications and unique algorithms to unify chemical and analytical information into a homogeneous environment. Live data can be searched and re-analyzed, and chemical intelligence re-applied. The result is a “one-to-many” information-from-intelligence live cycle that brings unified laboratory intelligence to scientists all across the chemistry organization. Spectrus DB can also be integrated with existing informatics systems to enhance their capabilities and achieve maximum return on investment.

“Development of Spectrus DB is a re-evaluation of the knowledge management tools that have been used by our customers for years,” says Hans de Bie, Director of Informatics Solutions and Services at ACD/Labs. “Customers that deploy our solutions at both the local and global level are emphatic that our system captures chemical and analytical knowledge beyond anything that other informatics systems are capable of. The new generation of our existing platform provides a uniform environment that takes advantage of ACD/Labs’ strengths in analytical data handling, and directly addresses the business concerns of the industry. Scientists, managers, and IT professionals agree that Spectrus DB will allow them to make better use of existing technologies while providing a powerful tool to preserve and re-use the intelligence generated within their enterprise.”

The Spectrus Platform fills the conspicuous gap left in most R&D organizations by current cheminformatics systems, with capabilities to:
•    Instantly collect disparate information from multiple analytical instruments running numerous techniques into a single homogeneous environment
•    Establish a chemically intelligent connection between chemical structures, reactions, schema, related analytical data, and chemical information for easy re-interrogation
•    Capture the human interpretation of data and knowledge gained in the decision-making process, and re-apply this intelligence in future decisions
•    Provide scientists facile access to this intelligence, to create insights, and augment multiple project outcomes with accumulated corporate knowledge
The Spectrus DB can be easily configured to meet the needs of individual organizations and laboratories. Customization can add automated processing and interpretation for higher productivity, while sample tracking and visualization may be added to meet workflow requirements.


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