is.inchikey_cs
(Package: webchem) :
Check if input is a valid inchikey using ChemSpider API
Check if input is a valid inchikey using ChemSpider API
● Data Source:
CranContrib
● Keywords:
● Alias: is.inchikey_cs
●
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Convert a InChIKey to InChI
● Data Source:
CranContrib
● Keywords:
● Alias: cs_inchikey_inchi
●
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is.inchikey_format
(Package: webchem) :
Check if input is a valid inchikey using format
Inchikey must fulfill the following criteria: 1) consist of 27 characters; 2) be all uppercase, all letters (no numbers); 3) contain two hyphens at positions 15 and 26; 4) 24th character (flag character) be 'S' (Standard InChI) or 'N' (non-standard) 5) 25th character (version character) must be 'A' (currently).
● Data Source:
CranContrib
● Keywords:
● Alias: is.inchikey_format
●
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get_wdid
(Package: webchem) :
Get Wikidata Item ID
Get Wikidata Item ID
● Data Source:
CranContrib
● Keywords:
● Alias: get_wdid
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cs_csid_mol
(Package: webchem) :
Convert a CSID to a Molfile
Convert a CSID to a Molfile
● Data Source:
CranContrib
● Keywords:
● Alias: cs_csid_mol
●
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Convert a InChIKey to CSID
● Data Source:
CranContrib
● Keywords:
● Alias: cs_inchikey_csid
●
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is.inchikey
(Package: webchem) :
Check if input is a valid inchikey
This function checks if a string is a valid inchikey. Inchikey must fulfill the following criteria: 1) consist of 27 characters; 2) be all uppercase, all letters (no numbers); 3) contain two hyphens at positions 15 and 26; 4) 24th character (flag character) be 'S' (Standard InChI) or 'N' (non-standard) 5) 25th character (version character) must be 'A' (currently).
● Data Source:
CranContrib
● Keywords:
● Alias: is.inchikey
●
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cts_to
(Package: webchem) :
Return a list of all possible ids
Return a list of all possible ids that can be used in the 'to' argument
● Data Source:
CranContrib
● Keywords:
● Alias: cts_to
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get_csid
(Package: webchem) :
Retrieve ChemSpider ID
Return Chemspider ID (CSID) for a search query, see http://www.chemspider.com/.
● Data Source:
CranContrib
● Keywords:
● Alias: get_csid
●
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cts_from
(Package: webchem) :
Return a list of all possible ids
Return a list of all possible ids that can be used in the 'from' argument
● Data Source:
CranContrib
● Keywords:
● Alias: cts_from
●
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providing 
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