cheminfo / eln-couch

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pubchem lookup #23

Open lpatiny opened 8 years ago

lpatiny commented 8 years ago

https://pubchem.ncbi.nlm.nih.gov/pug_rest/PUG_REST_Tutorial.html#_Toc409516682 https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/50-00-0/cids/json https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/CCCCBr/cids/json http://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/1,2,3,4,5/property/MolecularFormula,MolecularWeight,CanonicalSMILES/json

http://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/fastsimilarity_2d/cid/2244/property/MolecularWeight,MolecularFormula,RotatableBondCount/json?Threshold=99

http://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/fastsubstructure/smiles/C1CCCCCC1/json http://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/listkey/12345678910/cids/json

FULL record: http://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/2244/json