Enhanced Support for Synthesis Planning Workflows

Date Posted: Tuesday, February 24, 2009

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Symyx Technologies, Inc. has announced that the SPRESI structure and reaction database from InfoChem GmbH is now available to chemists via the Symyx Isentris® data access, analysis, and decision support system.

In combination with existing Symyx reaction databases, the SPRESI database offers synthesis chemists a high quality and cost-effective synthesis planning solution.

Through molecule or reaction searches that include reaction substructure, exact match, transformation, and reaction mapping searches, researchers can simultaneously query across multiple in-house and Symyx-provided reaction databases. Citation linking to source literature, automatic links to commercial compound availability, display of retro-synthetic schemes, and the use of the novel synthesis planner to build multi-step reaction plans enable synthesis chemists to design successful reaction plans.

The SPRESI database extends the existing set of reactions available from Symyx by providing access to an additional 6 million structures, 3.8 million reactions, and 28 million factual data entries extracted from 636,000 references and 164,000 patents published from 1974.

"In combination with Symyx's comprehensive collection of factual databases supporting compound preparation, transformations, and synthetic methodology, the high quality SPRESI database offers research scientists a wealth of valuable reaction planning information at an economical price," said Dr. Trevor Heritage, president of Symyx Software. "With Isentris, scientists only need a single application to explore a broad range of high quality reactions from Symyx as well as their own inhouse reaction data."

"As one of the world's largest reaction collections, the SPRESI database brings together a high quality collection of structures, reactions, and properties abstracted from leading journals and patents," said Dr. Peter Loew, president of InfoChem GmbH. "SPRESI is an excellent resource to support scientists' synthesis planning workflows."

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