NCBI News, April 2009

نویسندگان

  • Peter Cooper
  • Dawn Lipshultz
چکیده

NCBI’s PubChem now features calculated three-dimensional conformers (3-D conformers) for a large proportion of the PubChem compound database (17 million records, 88%). In addition, conformers are clustered to provide a list of similar 3-D conformers. These similar conformers provide a more relevant and expanded set of compounds with potentially similar biological and pharmacological activity. PubChem also provides a viewer for small molecule conformers and alignments that produces an animated view from displays in the Web service.

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تاریخ انتشار 2017