Symyx Technologies, Inc., a US-based provider of technologies for R&D, 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. The SPRESI (SPeicherung und REcherche Strukturchemischer Information) database seeks to offer 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 quickly and easily 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. These are extracted from 636,000 references and 164,000 patents published from 1974. Symyx's existing reaction databases are seen to provide extensive coverage of reactions, detailed experimental methodology and links to online citations and in-house reaction data.
The SPRESI database was originally developed in the 1970s by the All-Union Institute of Scientific and Technical Information of the Academy of Sciences of the USSR in Moscow in collaboration with the Zentrale Informationsverarbeitung Chemie in Berlin. The data collection includes chemical structures, reactions, chemical/ physical properties, keywords and factual data abstracted from key journals in the field of organic chemistry. InfoChem has maintained and distributed the collection since 1991.
