I've started exploring the Cheminformatics capabilities of Bioconductor, notably through the combination of the packages: ChemmineR, fmcsR, bioassayR and biomaRt. I am very interested in exploiting any publicly available drug-target activity assay databases e.g., PubChem, which is supported by the bioassayR package. In terms of activity assays, this is the extent of my knowledge. Is there additional support for activity assays besides PubChem within the Bioconductor software suite? My outcome would be to cluster drug/small molecules by their similar bioassay activity profiles.
Secondly, and of particular interest, is there an R/Bioconductor package to interface with the [clue.io] API? A had a little attempt a year back using Java, however, there is little point in reinventing the wheel if the capability exists.