SPRESI

Is a manually generated chemical structure and reaction database that includes 5.8 million compounds, 4.6 million reactions, and 32 million factual data extracted from 700,000 references including 170,000 patents, covering the time period 1974-2014.

DATA

The SPRESI data are accessible via the in-house developed web-application SPRESIweb, or with the iOS App SPRESImobile. In addition, the complete database (or topic specific subsets) can be acquired as a collection of SDfiles and RDfiles.

The data collection is also the source of chemical knowledge for our reaction prediction tools ICSYNTHand ICFRP.

HISTORY

In the 1970s the All-Union Institute of Scientific and Technical Information of the Academy of Sciences in the USSR (VINITI) in Moscow and the German Zentrale Informationsverarbeitung Chemie (ZIC) in Berlin began to build a chemistry database in computer readable format, aiming to generate a counterpart in the East to the activities of CAS and Beilstein. The main focus of this data set is organic synthesis, therefore the most important journals in this field are abstracted to include structures, reactions, chemical properties, physical properties, keywords and factual data in the collection.

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