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Adelene Lai
pubchem
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7d36cf77
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7d36cf77
authored
4 years ago
by
Adelene Lai
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added query url to README in annotations/
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CID__norman_s60.csv was generated on 20200918 via getPcCand.trans(' '). Seems to contain n=3312 rows, the merged S60+66+68 underlying PubChem's Transformations section as of 20200918.
Above function corresponds to the following query:
https://pubchem.ncbi.nlm.nih.gov/sdq/sdqagent.cgi?infmt=json&outfmt=csv&query={\"download\":\"*\",\"collection\":\"norman_s60\",\"where\":{\"ands\":[{\"cid\":\" \"}]},\"order\":[\"relevancescore,desc\"],\"start\":1,\"limit\":10000,\"downloadfilename\":\"CID_ _norman_s60.csv\"}"
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