Workflows

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Wsdl: http://www.chemspider.com/InChI.asmx?WSDL
Original Uploader

Workflow InChIToCSID (1)

Created: 09/07/10 @ 11:09:29 | Last updated: 09/07/10 @ 11:09:31

Credits: User Peter Li

License: Creative Commons Attribution-Share Alike 3.0 Unported License

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Convert InChI to ChemSpider ID

Rating: 0.0 / 5 (0 ratings) | Versions: 1 | Reviews: 0 | Comments: 0 | Citations: 0

Viewed: 10 times | Downloaded: 13 times

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Original Uploader

Workflow chemspider identifier to MOL format (1)

Created: 13/07/10 @ 13:52:02

Credits: User Peter Li

License: Creative Commons Attribution-Share Alike 3.0 Unported License

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Returns the MOL file for a given compound represented by its chemspider identifier

Rating: 0.0 / 5 (0 ratings) | Versions: 1 | Reviews: 0 | Comments: 0 | Citations: 0

Viewed: 36 times | Downloaded: 21 times

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Original Uploader

Workflow Generate inChi information (1)

Created: 09/07/10 @ 10:22:29 | Last updated: 09/07/10 @ 10:23:47

Credits: User Peter Li

License: Creative Commons Attribution-Share Alike 3.0 Unported License

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Uses the GenerateInchiInfo web service operation from ChemSpider to generate information relating to the InChi string for a given chemical compound

Rating: 0.0 / 5 (0 ratings) | Versions: 1 | Reviews: 0 | Comments: 0 | Citations: 0

Viewed: 18 times | Downloaded: 24 times

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Original Uploader

Workflow InchiStringToSmiles (1)

Created: 09/07/10 @ 11:38:59 | Last updated: 09/07/10 @ 11:39:01

Credits: User Peter Li

License: Creative Commons Attribution-Share Alike 3.0 Unported License

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Converts an inchi string into SMILES format

Rating: 0.0 / 5 (0 ratings) | Versions: 1 | Reviews: 0 | Comments: 0 | Citations: 0

Viewed: 15 times | Downloaded: 12 times

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Original Uploader

Workflow InChi key to Inchi string (1)

Created: 09/07/10 @ 10:58:54 | Last updated: 09/07/10 @ 11:00:16

Credits: User Peter Li

License: Creative Commons Attribution-Share Alike 3.0 Unported License

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Converts an InChI key to an InChI string using the ChemSpider Inchi web service.

Rating: 0.0 / 5 (0 ratings) | Versions: 1 | Reviews: 0 | Comments: 0 | Citations: 0

Viewed: 11 times | Downloaded: 11 times

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Original Uploader

Workflow MolToInchiKey (1)

Created: 09/07/10 @ 12:10:00 | Last updated: 09/07/10 @ 12:10:02

Credits: User Peter Li

License: Creative Commons Attribution-Share Alike 3.0 Unported License

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Converts a MOL file to an InChIKey. Result is v1.02s InChIKey.

Rating: 0.0 / 5 (0 ratings) | Versions: 1 | Reviews: 0 | Comments: 0 | Citations: 0

Viewed: 11 times | Downloaded: 14 times

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Original Uploader

Workflow InChIStringToInChiKey (1)

Created: 09/07/10 @ 11:12:58 | Last updated: 09/07/10 @ 11:23:55

Credits: User Peter Li

License: Creative Commons Attribution-Share Alike 3.0 Unported License

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Converts an InChI string to an InChi key

Rating: 0.0 / 5 (0 ratings) | Versions: 1 | Reviews: 0 | Comments: 0 | Citations: 0

Viewed: 8 times | Downloaded: 12 times

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Original Uploader

Workflow Generate InChi key (1)

Created: 09/07/10 @ 10:45:09 | Last updated: 09/07/10 @ 10:45:11

Credits: User Peter Li

License: Creative Commons Attribution-Share Alike 3.0 Unported License

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Generates an inchi key for a given compound using the inchi web service provided by ChemSpider

Rating: 0.0 / 5 (0 ratings) | Versions: 1 | Reviews: 0 | Comments: 0 | Citations: 0

Viewed: 20 times | Downloaded: 18 times

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Original Uploader

Workflow isValidInChiKey (1)

Created: 09/07/10 @ 11:55:56 | Last updated: 09/07/10 @ 11:55:58

Credits: User Peter Li

License: Creative Commons Attribution-Share Alike 3.0 Unported License

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Checks that specified argument is valid InChIKey. Works for v1.02b InChIKey only.

Rating: 0.0 / 5 (0 ratings) | Versions: 1 | Reviews: 0 | Comments: 0 | Citations: 0

Viewed: 12 times | Downloaded: 15 times

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Original Uploader

Workflow InChi key to MOL file (1)

Created: 09/07/10 @ 11:05:11 | Last updated: 09/07/10 @ 11:05:13

Credits: User Peter Li

License: Creative Commons Attribution-Share Alike 3.0 Unported License

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Returns a MOL file for a given InChi key

Rating: 0.0 / 5 (0 ratings) | Versions: 1 | Reviews: 0 | Comments: 0 | Citations: 0

Viewed: 21 times | Downloaded: 25 times

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