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Reaxys Updates – Fall 2011

October 10th, 2011

Reaxys was updated on September 9, 2011

This release contains some exciting new additions to Reaxys, most notably the Similarity Searching capability, and the enhancements to Reaxys structure searching. The key highlights include:

  • Structure similarity searching: a new similarity searching method allows researchers to quickly find results in Reaxys even if the structure of interest does not exist in Reaxys’ extensive dataset. Reaxys similarity searching is fast enough to provide results for five different similarities almost instantaneously – the researcher can select which result set to view (positional/stereo isomers, near, medium, wide and widest similarity).
  • Reaction similarity searching: it is now also possible to search for similar reactions of a given reaction query: Reaxys will analyze the reaction query, identify the atoms and groups involved in the reaction process and run a search for all reactions that show similar characteristics. The reaction similarity searching is fast and provides results in a few seconds.
  • Structure Search Enhancements:
    –  Link nodes: it is now possible to use the Link nodes feature in the Structure Editors (Link nodes allow specifying query structures containing rings or chains of variable size).
    – Unsaturated atom: an atom of a given structure query can be defined as being unsaturated
    – Frequency exact in R-Groups: it is possible to define the exact frequency of R-groups in structure queries
    – Multi-center bonds: Reaxys supports queries containing multi-center bonds
    – Aromatic bond: Reaxys supports the search for aromatic bond types.

For the full details on this release please check the “About” hyperlink displayed at the bottom of the Reaxys query page.