Reaxys and PubChem

Just a quick update from the latest Reaxys newsletter (May 2012):

“There have been several exciting developments since the last Reaxys update, notably the integration of PubChem into Reaxys, the move to bi-weekly content updates and more. Any structure searches done in Reaxys are now run across the PubChem compounds at the same time and in the same interface – increasing the number of compounds being searched which is valuable for any prior-art activities and researchers can now generate synthetic pathways for PubChem compounds not in Reaxys via Reaxys’ similarity searching.”

When you search for substances in Reaxys, you’ll see two tabs, one for Reaxys results and another for Pubchem results, so you can view and manipulate them separately.

PubChem, remember, comes out of the NIH, specifically the National Library of Medicine’s NCBI (National Center for Biotechnology Information).  (Boy, that’s a mouthful) – anyway, it’s the same folks who bring you PubMed and BLAST and Entrez, – all those integrated biomedical and life sciences databases.   PubChem provides information on the biological activities of small molecules. It’s organized as three linked databases within the NCBI’s Entrez portal:  PubChem Substance, PubChem Compound, and PubChem BioAssay.

Here’s the PubChem Compound Summary record for resveratrol which is in your blueberries and red wine, – see how nicely it’s tied in with the bioactivity databases and the PubMed articles.

Here’s the Reaxys take on resveratrol (access restricted to Dartmouth users), with the PubChem information and links on the second tab.

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