bulk annotation

[allaway]

per @laross00 :

I also think a future development of this tool could be to enrich HTS screenings results. Imagine a phenotypic screening of a large set of novel compounds (i.e.10K compounds). At the end you get a list of hits ranked by IC50s. If you could analyze the top 100 compounds from the screen in bulk and allow the system to relate to similar compounds in your DB by lowering the similarity threshold, you could have a training set of proximity compounds to work with. My analysis would look for hot spots for targets hit by multiple compounds and of course selection of focused set of compounds to be used in secondary screens as validation sets.