builds the PubChem Bioassay database that is distributed for use with bioassayR
Home Page: http://chemmine.ucr.edu/bioassayr
working/domainsFromHmmscanTwoCols gets extra lines at the end on the latest version of hmmer
Search:
0[Active Cid Count] AND (pcassay_protein_target[filt])
Yields 49533 in PubChem Bioassay
add code to generate an SDF and Atom Pair fingerprints for each compound
Is it possible to make a version of the code that downloads all the bioassay data from pubchem and not just the ones with specified protein targets? some assays may be cell-based reporter assays which may give useful insights about a hit compound, but they are excluded from the pubchem_protein_only.sqlite database.
Thanks for any help!
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