10.6084/m9.figshare.95806.v3
Christopher Southan
Christopher
Southan
AZ_MRC compounds with PubChem IDs and patent mappings
figshare
2014
drugs
Bioinformatics
2014-02-03 21:26:01
Dataset
https://figshare.com/articles/dataset/AZ_MRC_compounds_with_PubChem_IDs_and_patent_mappings/95806
<p>See updates below introduction</p>
<p>I have performed the same exercise as described for the NCATS 56 small molecules, Namely to 1) map the code name to a structure, 2) assign these to a PubChem CID and 3) search SureChemOpen for matches to early patent filings (details are given in blog link below)</p>
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<p><br>Updates: October: InChIKey for AZD1656 has been added to this descrition page as a Google indexing an retrieval test FJEJHJINOKKDCW-INIZCTEOSA-N</p>
<p>Sept 2012) InChIKey added as a new column in the Excell file for Google indexing and are now retrievable by searching the key in Google<br></p>
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<p> Update Jan 2014: Now at 58 structures from 78 codes</p>
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