CCL: CAS number to Smile String

[Markus Sitzmann <sitzmann*_*helix.nih.gov>]

 Sent to CCL by: Markus Sitzmann [sitzmann**helix.nih.gov]
 Chunhui,
 you might try our NCI/CADD Chemical Identifier Resolver at
 http://cactus.nci.nih.gov/chemical/structure
 If the service knows the CAS number converting the CAS number
 to SMILES string is just:
 http://cactus.nci.nih.gov/chemical/structure/64-17-5/smiles
 or, converting it to SDF file:
 http://cactus.nci.nih.gov/chemical/structure/64-17-5/file?format=sdf
 Markus
 Chunhui Li baotogo2004#,#gmail.com wrote:
>  Sent to CCL by: "Chunhui  Li" [baotogo2004_._gmail.com]
>  Hi Dear ALl,
>  I want to generate smile strings for more than 100 chemicals. All I have is the
>  CAS number for each chemical. Is there any tools I can use to do this
>  automatically?
> Thanks in advance!>
>  
>  
 --
  Markus Sitzmann, Ph.D.
  Laboratory of Medicinal Chemistry
  Center for Cancer Research
  National Cancer Institute
  National Institutes of Health
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  301-846-5974 (office)
  301-846-6033 (fax)
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