File:CAS-WikipediaSDF-Union.zip
Revision as of 07:13, 18 December 2008 by Walkerma (talk | contribs) (Union of CAS-CommonChemistry.sdf with WPChemMain2008.sdf done using structure inside SDF. Note that the uncompressed file is described as an intersection, but it is in fact a union of the two. This is ChemSpiderman's description: # I took my Wikipedia )
CAS-WikipediaSDF-Union.zip (file size: 2.09 MB, MIME type: application/zip)
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Union of CAS-CommonChemistry.sdf with WPChemMain2008.sdf done using structure inside SDF. Note that the uncompressed file is described as an intersection, but it is in fact a union of the two. This is ChemSpiderman's description:
- I took my Wikipedia curation file. This is one that has NOT been updated with feedback from the rest of the team since Nigel Wheatley worked with me on Ajmaline very early this year
- I intersected the Wikipedia file with the CAS supplied file based on CHEMICAL STRUCTURE
- The intersection would merge the CAS REGISTRY NUMBER field into existing records. If the structure didn’t exist in the Wikipedia file then it would add it to the file
- The result is shown below. 2037 records were intersected by structure and a CAS Registry Number was added
- There are 4330 NEW structures added to the Wikipedia file. This means that those structures do not have Wikipedia records. This is NOT necessarily true of course…they might have an HCl salt while we have a Cl- salt. Tautomers could be different etc.
- Note that 26 of the structures provided by CAS could not be imported.
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| Date/Time | Dimensions | User | Comment | |
|---|---|---|---|---|
| current | 07:13, 18 December 2008 | (2.09 MB) | Walkerma (talk | contribs) | Union of CAS-CommonChemistry.sdf with WPChemMain2008.sdf done using structure inside SDF. Note that the uncompressed file is described as an intersection, but it is in fact a union of the two. This is ChemSpiderman's description: # I took my Wikipedia |
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