Archive for the ‘SPRESIweb’ Category

SPRESIweb

SPRESIweb is the online interface to the SPRESI structure and reaction database of 5.62 million compounds and 4.34 million reactions. Parameters that can be searched for include:

  • Chemical structure
  • Chemical reaction
  • Bibliographic information
  • Reaction conditions / name
  • Reaction similarity
  • Catalyst
  • Solvent
  • Yield
  • Physicochemical property

The data searchable via SPRESIweb has been collected by the All-Union Institute of Scientific and Technical Information of the Academy of Sciences in the USSR (VINITI) and the German Zentrale Informationsverarbeitung Chemie in Berlin (ZIC) since 1974.

SPRESIweb allows the Synthesis Tree Searched to retrieve reaction trees to or from a given target molecule. A database of over 600 named reactions is also accessible via SPRESIweb, giving real-life experimental examples of classic literature reactions.

Watch an introductory webinar to InfoChem’s SPRESIweb here.

A factsheet with more information about SPRESIweb can be downloaded here:

SPRESIweb

Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)

SPRESIweb webinar

Many thanks to Valentina Eigner-Pitto from InfoChem for an excellent webinar running through the capabilities of SPRESIweb.

SPRESIweb is a structure and reaction database for organic chemists. The user can search 5.52 million molecules and 4.26 million reactions, extracted from 675,000 references and 164,000 patents covering the years 1974 – 2011.

The next CDS summer webinar, “Overview of Chemicalize from ChemAxon” will be held on the 13th August at 4pm BST. Register here.

Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)

Summer Webinars – ACD/I-Labs, SPRESIweb and Chemicalize

A series of free webinars over the summer will provide an overview of the various resources served up via the National Chemical Database Service. Please watch / register for the webinars by clicking on the links below.

ACD/I-Labs Predictive tool for physchem, ADME and toxicity 9th July 2013 16:00 (UK) Watch
SPRESIweb Online chemical structure and reaction database 30th July 2013 12:00 (UK) Watch
Chemicalize Structure-based predictions of structures in webpage text 13th August 2013 16:00 (UK) Watch

The webinars will be followed by an opportunity to give feeedback and ask questions. All webinars will be made freely available after the event.

Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)

Initial Overview of Integration to SPRESIWeb

When the Chemical Database Service releases it will already be integrated to SPRESIWeb. This movie gives a very early view of the integration in place at release. The movie is available online here and shown embedded below.

Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)