The SPRESI Database from InfoChem

SPRESI stands for SPeicherung und REcherche Strukturchemischer Information (Storage and Retrieval of Chemical Structure Information).

SPRESI is a comprehensive database consisting of chemical structures and reaction information gathered since 1974. It is produced by InfoChem GmbH and is the world's 3rd largest structure and reaction database containing 11.8 million structures (5.4 million structures abstracted from the literature and 6.4 million molecules from catalogs) and 4.2 million reactions. For further details on SPESI and related systems, including up to date contents statistics, use the Menu bar above.

SPRESI and the Chemical Database Service

The Chemical Database Service has made arrangements to make the SPRESIweb system available to its user community as a permanent part of the Service.
Note: There is now a free app for the iPad and iPhone called SPRESImobile that gives users access to 400,000 literature reactions (the ChemReact database). For more information, see the spresimobile.pdf

All CDS users can now access SPRESIweb by clicking on the Access Data menu at the left of the top pulldown menu on all CDS web pages.

Historical Background

In the 70's, the All-Union Institute of Scientific and Technical Information of the Academy of Science of the USSR (VINITI) in Moscow, and the Information Processing Centre for Chemistry (ZIC) in Berlin started to abstract structures and reactions from the most important organic synthesis journals, creating SPRESI. Since then, abstraction of the world's chemical literature continues to maintain this database up to date.

InfoChem GmbH holds the rights on this data and, since 1990, has made the data available to the west.

Interface for SPRESIweb 2.10

start screen

SPRESIweb provides easy to use web interface access to the database. There is a choice of drawing package including ISIS/Draw, ChemDraw and InfoChem's own Java package ICEDIT

Drawn structures or reactions can be saved to the users local disk as mol- or rxn-file and also uploaded from local disk.

Search Options

Searches can be conducted for: For more information on searches, click on the links above.

Quick Search

A quicksearch textbox has been added on the SPRESIweb intropage. Entering keywords the user can perform a quick search through the basic index of structures, reactions and references. A short hit list (molecules, reactions, references) shows how many hits have been found in the three different categories enabling to access directly the detailed hit list in SPRESIweb.

Synthesis Tree Search (STS)

Synthesis of given target molecules can be planned interactively with this synthesis-planning tool.

Other Features

Chemicals Suppliers

SPRESIweb also contains links with other web sites of interest such as Chemicals Suppliers.
New chemicals suppliers are continually being added and include:
ChemiK, Apollo Scientific, Oakwood, Sinova, ABCR, ASDI, ChemPacific, PharmaCore, SynQuest, Frontier Scientific, FDI Chemicals, Synchem Inc., Otava, Synthonix, ChemCollect, Acros, Fisher Scientific, Maybridge and Enamine.
A complete list is available is available from the SPRESI site.

The user can identify which substances contained in his hit lists are commercially available directly during the search and order them right away through the hyperlink to homepage/online catalogue of the particular supplier. This feature also allows supplier specific structure searches.

Name Reactions Display

If a reaction belongs to one of the main name reactions listed in the program Name Reactions it will be shown in the reaction hit list.
There are 498 name reactions and over 376,000 reactions of SPRESIweb are assigned to one of these name reactions.

Spectra

There are links with I-Lab from ACD/Labs to calculate spectra and just recently in SPRESIweb 1H spectra calculation in SpecInfo is now offered. However these links are to the vendors site and not CDS, where the same calculations can be done.

Search for Chemical Calculated Descriptors

For molecules the search for chemical descriptors calculated with MOE 2004.3 is now possible. The descriptors are logP, rotable Bonds, H acceptors and H donors.

Hit list Downloaded as pdf-file

In the new version of SPRESIweb 2.6 there is the option to download molecule, reaction and reference hit lists as pdf-files.

Other Information