Many drugs are characterized by polypharmacological
mechanisms of action. Thus, prospective drug discovery
studies often start by testing large compound libraries in
multiple and diverse High-Throughput Screening (HTS)
assays. These large heterogeneous data collections pose
numerous computational challenges concerning processing,
curation, and analysis of untreated output files
generated by plate readers. We have developed the
freely-accessible HTS Navigator software to enable and
facilitate the processing and analysis of polypharmacological
HTS data. We report on the capabilities of Navigator
and present several case studies where we employed
cheminformatics approaches embedded within the Navigator
to curate and analyze large datasets of compounds
tested toward different panels of targets