The SPRESI data collection is one of the largest databases

Chemical database

A chemical database is a database specifically designed to store chemical information. This information is about chemical and crystal structures, spectra, reactions and syntheses, and thermophysical data.- Chemical structures :...

 for organic chemistry

Organic chemistry

Organic chemistry is a subdiscipline within chemistry involving the scientific study of the structure, properties, composition, reactions, and preparation of carbon-based compounds, hydrocarbons, and their derivatives...

 worldwide. The database covers the scientific literature

Scientific literature

Scientific literature comprises scientific publications that report original empirical and theoretical work in the natural and social sciences, and within a scientific field is often abbreviated as the literature. Academic publishing is the process of placing the results of one's research into the...

 from 1974 to the present, focusing on organic synthesis

Organic synthesis

Organic synthesis is a special branch of chemical synthesis and is concerned with the construction of organic compounds via organic reactions. Organic molecules can often contain a higher level of complexity compared to purely inorganic compounds, so the synthesis of organic compounds has...

. It contains information on 8.7 millions chemical structure

Chemical structure

A chemical structure includes molecular geometry, electronic structure and crystal structure of molecules. Molecular geometry refers to the spatial arrangement of atoms in a molecule and the chemical bonds that hold the atoms together. Molecular geometry can range from the very simple, such as...

s and 4.1 millions chemical reaction

Chemical reaction

A chemical reaction is a process that leads to the transformation of one set of chemical substances to another. Chemical reactions can be either spontaneous, requiring no input of energy, or non-spontaneous, typically following the input of some type of energy, such as heat, light or electricity...

s abstracted from 658,000 references.

History

The database was jointly built from VINITI (All-Russian Institute of Scientific and Technical Information of the Russian Academy of Sciences, based in Moscow) and ZIC (Zentrale Informationsverarbeitung Chemie, based in east Berlin, up to 1989) and the data are now maintained by the VINITI Institute. Since 1990 InfoChem GmbH, based in Munich, Germany, has been the distributor of this data collection.

Database Content

The SPRESI database contains information on organic substances, including coverage of reactions, structures and properties. Over 32 millions of factual data, such as physical properties (boiling/melting points, refractive indexes, etc.), reaction conditions (catalysts, yields, etc.) and keywords have also been abstracted. Links to the literature in which the substances are described are also given.

Access

The SPRESI data collection can be accessed online via the web-application SPRESI^web, developed and distributed by InfoChem. Alternatively the complete set or subsets of the database can be acquired as raw data in SDF/RDF chemical file format

Chemical file format

This article discusses some common molecular file formats, including usage and converting between them.-Distinguishing formats:Chemical information is usually provided as files or streams and many formats have been created, with varying degrees of documentation. The format can be found by three...

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